data_1iyg_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 1iyg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CD1' HG13 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HD11 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' CG ' HD22 ' A' ' 84' ' ' LEU . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 43' ' ' PHE . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 96' ' ' LYS . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 94' ' ' TYR . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.432 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 37' ' ' VAL . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 32' ' ' GLN . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' LEU . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.596 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' TYR . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.505 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.505 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 114' ' ' ALA . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' GLU . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.407 ' CG2' ' HE1' ' A' ' 125' ' ' MET . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 125' ' ' MET . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.577 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.588 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 58.4 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 64' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' SER . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.603 HG22 ' CE3' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 90' ' ' ARG . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' VAL . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 ' CB ' ' CD1' ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' HD21 ' A' ' 84' ' ' LEU . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 100' ' ' TYR . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.519 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.519 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.487 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' CG ' ' A' ' 78' ' ' ARG . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 104' ' ' LEU . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 121' ' ' ILE . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.525 ' CE ' ' CG1' ' A' ' 11' ' ' VAL . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG1' ' CE ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.492 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' SER . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 63' ' ' VAL . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE2' ' CG2' ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CE2' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' VAL . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.621 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.455 ' CG2' ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 119' ' ' ARG . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.454 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 86' ' ' VAL . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.432 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 27' ' ' LYS . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' N ' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' SER . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 56' ' ' GLU . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 91' ' ' LEU . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.511 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 83' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 62' ' ' ILE . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.617 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.617 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.614 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.435 ' ND2' HD22 ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.408 ' CE1' ' CD2' ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 102' ' ' ARG . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' HD22 ' A' ' 98' ' ' LEU . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.445 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.507 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.507 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.585 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.434 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 89' ' ' TYR . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.622 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.622 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.545 HG23 ' CE3' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 90' ' ' ARG . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.495 ' CG2' HD23 ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' ILE . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.566 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 12' ' ' LEU . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 12' ' ' LEU . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' CD ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD1' HG21 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.423 ' CD1' HD12 ' A' ' 12' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 117' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.478 ' HG3' ' CD1' ' A' ' 120' ' ' LEU . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 89' ' ' TYR . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' CG2' HD12 ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 100' ' ' TYR . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ALA . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE2' HD23 ' A' ' 12' ' ' LEU . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 114' ' ' ALA . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' CG2' ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 11' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 117' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CD1' HG12 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.517 HG12 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.401 ' N ' HG11 ' A' ' 37' ' ' VAL . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' SER . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CG2' HD12 ' A' ' 91' ' ' LEU . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 43' ' ' PHE . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 100' ' ' TYR . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' CG2' ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.471 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.582 HG23 ' CE3' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ARG . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.411 ' N ' HD12 ' A' ' 49' ' ' LEU . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.546 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' HD22 ' A' ' 84' ' ' LEU . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 43' ' ' PHE . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.445 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.623 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.438 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 52' ' ' SER . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 91' ' ' LEU . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 60' ' ' ARG . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CB ' ' CD1' ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 70' ' ' PRO . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ALA . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.427 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.627 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.416 HG22 ' NH1' ' A' ' 78' ' ' ARG . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLU . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.474 ' HB ' ' CD2' ' A' ' 98' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.627 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HE1' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 89' ' ' TYR . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' SER . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.496 ' CG2' HD23 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' GLU . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 70' ' ' PRO . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.564 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HD3' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE1' ' HE3' ' A' ' 8' ' ' MET . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.578 ' CE2' HD22 ' A' ' 12' ' ' LEU . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 100' ' ' TYR . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' VAL . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.595 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.483 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.554 ' CD1' ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 94' ' ' TYR . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 8' ' ' MET . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 86' ' ' VAL . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.499 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG22 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 51' ' ' ARG . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' CB ' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 58' ' ' ILE . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 100' ' ' TYR . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG11 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.61 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' VAL . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.616 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CB ' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.42 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 121' ' ' ILE . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 117' ' ' LEU . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.61 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.554 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.591 HG23 ' CE3' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 91' ' ' LEU . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.491 ' O ' ' C ' ' A' ' 63' ' ' VAL . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.546 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.647 ' CD1' ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 58' ' ' ILE . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.647 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.474 ' HD2' ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 115' ' ' LYS . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' GLU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.473 ' CE ' HG21 ' A' ' 86' ' ' VAL . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 89' ' ' TYR . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.411 ' CE2' ' HE2' ' A' ' 83' ' ' TYR . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 45' ' ' TYR . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' N ' HG21 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 83' ' ' TYR . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.523 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.557 ' NH1' ' CG2' ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' CD1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.557 ' CG2' ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' LEU . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE2' ' A' ' 89' ' ' TYR . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.593 HG21 ' CE3' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' ARG . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.562 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' CG ' ' CD2' ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.484 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.54 ' CG1' ' O ' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.461 ' O ' ' CG2' ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.563 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.437 ' CB ' HD12 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.54 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 94' ' ' TYR . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.489 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 83' ' ' TYR . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.586 HG21 ' CE3' ' A' ' 47' ' ' TRP . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 60' ' ' ARG . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.557 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.557 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.523 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 12' ' ' LEU . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' ' CG2' ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.49 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.411 ' CD2' HG21 ' A' ' 86' ' ' VAL . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.449 ' HA ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 86' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 28' ' ' PHE . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' HD21 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 57' ' ' ASP . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 65' ' ' LEU . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' C ' ' A' ' 63' ' ' VAL . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 60' ' ' ARG . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.457 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' CG ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' LYS . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG2' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.421 HG21 ' NE ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' GLU . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' CE ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 79' ' ' ASP . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE1' HD13 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' A' ' 84' ' ' LEU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 83' ' ' TYR . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' CG ' HD22 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.48 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.533 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.802 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.601 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' LYS . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' VAL . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' LEU . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.512 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.512 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.436 ' HG2' ' CB ' ' A' ' 116' ' ' GLU . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 89' ' ' TYR . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' CYS . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' ARG . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.552 HG11 ' N ' ' A' ' 64' ' ' LEU . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.552 ' N ' HG11 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLY . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.501 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CE2' HD23 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 114' ' ' ALA . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 89' ' ' TYR . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.483 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.613 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.613 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.577 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.598 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.418 ' CE2' HD11 ' A' ' 12' ' ' LEU . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.427 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.533 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 101' ' ' VAL . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.598 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CD ' ' HB3' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 114' ' ' ALA . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 78' ' ' ARG . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 111' ' ' ASN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.486 ' CD1' HD21 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m 59.83 90.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 63.35 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -97.79 1.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 50.98 68.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -61.77 -68.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -72.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.404 ' CD1' HG13 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' N ' HD11 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' CG ' HD22 ' A' ' 84' ' ' LEU . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 43' ' ' PHE . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.607 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 96' ' ' LYS . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.607 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 94' ' ' TYR . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -52.78 -59.58 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.62 122.26 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -138.13 166.4 25.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -43.9 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.472 1.774 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.59 157.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.0 t -101.56 101.01 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.68 101.39 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -126.25 134.17 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.045 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.92 169.49 28.01 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.475 1.11 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -72.06 143.87 48.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.64 159.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 -109.72 2.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.432 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' N ' HG23 ' A' ' 37' ' ' VAL . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 32' ' ' GLN . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' SER . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' LEU . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.596 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' TYR . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.577 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.505 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.596 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.505 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 114' ' ' ALA . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 118' ' ' GLU . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.407 ' CG2' ' HE1' ' A' ' 125' ' ' MET . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 125' ' ' MET . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.577 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -94.95 51.84 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 p -145.27 -47.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.966 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.11 152.11 6.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.37 160.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.28 109.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -155.3 77.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 0.807 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.03 155.68 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.78 148.22 5.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -56.46 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -79.04 145.68 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -78.56 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.588 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.535 ' CD1' HG12 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 58.4 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG12 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 64' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 52' ' ' SER . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.603 HG22 ' CE3' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 90' ' ' ARG . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' VAL . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' CB ' ' CD1' ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' HD21 ' A' ' 84' ' ' LEU . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.535 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.586 HD23 ' CE2' ' A' ' 100' ' ' TYR . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.557 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.519 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.519 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.421 HD21 ' CG ' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.487 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' CG ' ' A' ' 78' ' ' ARG . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' CG ' HD21 ' A' ' 104' ' ' LEU . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.487 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 121' ' ' ILE . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 81.09 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.45 167.99 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -168.06 -158.0 11.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.0 3.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.9 m -148.71 167.06 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -93.53 -58.04 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m 55.24 83.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.069 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.24 130.52 56.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 167.13 37.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.46 -56.57 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 0.8 . . . . 0.0 109.953 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -63.21 146.49 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.59 -101.06 0.15 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.525 ' CE ' ' CG1' ' A' ' 11' ' ' VAL . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG1' ' CE ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 89' ' ' TYR . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' SER . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.584 HG21 ' CE3' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 63' ' ' VAL . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' OE2' ' CG2' ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CE2' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.473 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' VAL . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.621 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.455 ' CG2' ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' CG2' ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 119' ' ' ARG . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -138.08 66.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.59 162.93 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.93 -125.41 1.93 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.21 27.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -54.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 110.107 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 130.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -117.85 132.22 56.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.97 167.92 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 90.88 0.79 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -162.78 161.28 26.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -54.64 128.59 33.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -79.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.454 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 86' ' ' VAL . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.432 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 27' ' ' LYS . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' N ' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' SER . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 56' ' ' GLU . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 91' ' ' LEU . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.511 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 66' ' ' GLU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 83' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 62' ' ' ILE . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.617 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.617 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.614 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' ND2' HD22 ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.408 ' CE1' ' CD2' ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 102' ' ' ARG . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.614 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 117' ' ' LEU . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' CG ' HD22 ' A' ' 98' ' ' LEU . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.445 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.507 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.507 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.535 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.585 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -121.35 -50.53 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -138.42 135.17 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.4 -146.88 11.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -56.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 p -115.72 114.47 24.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -59.95 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.626 1.204 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m 48.82 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -160.87 134.47 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.08 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.33 125.96 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.94 168.34 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.066 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -119.79 -69.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.68 -133.03 11.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.434 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CE2' ' A' ' 89' ' ' TYR . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' HA ' ' CG2' ' A' ' 41' ' ' THR . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.622 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.622 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' SER . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.545 HG23 ' CE3' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.421 ' OD1' ' CD ' ' A' ' 90' ' ' ARG . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CG2' HD12 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.495 ' CG2' HD23 ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' ILE . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' LEU . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.59 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.566 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' CB ' HG22 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 12' ' ' LEU . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 12' ' ' LEU . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' CD ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD1' HG21 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.611 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' CD1' HD12 ' A' ' 12' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 117' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.434 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.573 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -53.62 -69.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.8 t 56.59 91.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -76.53 170.25 54.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 154.51 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.92 85.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.9 p -42.77 138.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -169.59 153.66 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.45 110.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 152.97 7.32 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.566 1.166 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -134.13 160.0 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 0.826 . . . . 0.0 109.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -158.81 -63.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 -179.46 16.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.478 ' HG3' ' CD1' ' A' ' 120' ' ' LEU . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 89' ' ' TYR . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG21 ' CE3' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.428 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' CG2' HD12 ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.478 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.541 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 100' ' ' TYR . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ALA . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.582 ' CE2' HD23 ' A' ' 12' ' ' LEU . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 114' ' ' ALA . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' CG2' ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -52.23 -54.78 26.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.93 147.59 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.058 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.92 -176.51 20.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 170.02 21.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.8 t -155.67 113.22 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m 73.06 -67.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 110.956 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 56.45 165.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -129.55 98.04 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.45 -93.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -121.15 109.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.7 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 11' ' ' VAL . . . 157.47 -158.86 29.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.466 ' CE ' HD13 ' A' ' 117' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CD1' HG12 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.517 HG12 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.401 ' N ' HG11 ' A' ' 37' ' ' VAL . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.477 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' SER . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CG2' HD12 ' A' ' 91' ' ' LEU . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 43' ' ' PHE . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 100' ' ' TYR . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.553 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD12 ' CG2' ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 97' ' ' ALA . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' CB ' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -141.87 -61.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.38 -174.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -176.36 177.99 47.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.07 8.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -142.76 103.32 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -89.55 138.24 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.84 160.93 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.73 86.51 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.29 -179.98 15.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -143.8 89.05 2.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 0.75 . . . . 0.0 109.923 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -103.48 101.86 11.75 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.06 -112.41 1.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.471 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.582 HG23 ' CE3' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ARG . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' CG2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.411 ' N ' HD12 ' A' ' 49' ' ' LEU . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.546 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' HD22 ' A' ' 84' ' ' LEU . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 43' ' ' PHE . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.623 HD21 ' CE2' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.445 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' HB2' ' CG2' ' A' ' 58' ' ' ILE . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 102' ' ' ARG . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.623 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 108' ' ' GLU . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.476 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.471 ' HG ' ' CE ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.475 HD13 ' CD1' ' A' ' 98' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -71.42 75.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 175.22 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.7 25.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.071 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 145.83 31.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.63 147.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -164.3 158.53 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -170.63 132.32 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -176.0 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.59 166.72 20.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.41 94.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 63.42 68.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.66 -119.23 3.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.438 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HG2' ' CD2' ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.536 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 52' ' ' SER . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 91' ' ' LEU . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 60' ' ' ARG . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CB ' ' CD1' ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 70' ' ' PRO . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.533 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.533 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.457 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.554 HG11 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ALA . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.427 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.627 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 81' ' ' VAL . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.416 HG22 ' NH1' ' A' ' 78' ' ' ARG . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 118' ' ' GLU . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.474 ' HB ' ' CD2' ' A' ' 98' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.627 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt -70.85 67.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -96.35 -177.05 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.84 -145.5 9.97 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.8 3.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -145.22 163.32 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 t -139.1 160.57 39.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.82 89.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.68 105.96 14.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 -156.38 9.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -158.43 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -76.26 135.71 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.34 -90.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HE1' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 89' ' ' TYR . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' GLU . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.563 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' SER . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' LEU . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.496 ' CG2' HD23 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' GLU . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' O ' ' CD ' ' A' ' 70' ' ' PRO . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.564 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.535 ' HD3' ' N ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.594 HG12 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' CE1' ' HE3' ' A' ' 8' ' ' MET . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG2' ' HE1' ' A' ' 8' ' ' MET . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.578 ' CE2' HD22 ' A' ' 12' ' ' LEU . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 100' ' ' TYR . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 101' ' ' VAL . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.595 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD23 ' CB ' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.483 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.554 ' CD1' ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 94' ' ' TYR . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt -55.71 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.7 p 44.29 86.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -74.13 155.29 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.16 25.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.398 1.736 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 p -144.55 -64.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.38 -59.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.21 103.26 6.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.055 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 163.69 38.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 93.83 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.98 -63.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -92.31 153.47 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 -94.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 8' ' ' MET . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' CD2' HG11 ' A' ' 86' ' ' VAL . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.499 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CE2' HD12 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG22 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 51' ' ' ARG . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' CB ' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 58' ' ' ILE . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG21 ' CD2' ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLY . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.616 HD21 ' CE2' ' A' ' 100' ' ' TYR . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG11 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.61 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 101' ' ' VAL . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.616 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' N ' HG13 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD22 ' CB ' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.42 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 121' ' ' ILE . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 117' ' ' LEU . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.61 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -103.2 95.88 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m -48.0 141.01 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.02 30.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.22 27.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.589 1.837 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 175.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.7 p 171.3 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 0.0 109.956 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -41.93 123.65 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 0.704 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.79 167.7 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.65 -94.3 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.82 99.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.952 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -61.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -160.13 27.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.554 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.591 HG23 ' CE3' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 91' ' ' LEU . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.491 ' O ' ' C ' ' A' ' 63' ' ' VAL . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.546 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.647 ' CD1' ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 97' ' ' ALA . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.554 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 58' ' ' ILE . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.647 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.474 ' HD2' ' CD2' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 115' ' ' LYS . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' GLU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -60.93 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.1 t -46.56 133.47 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 128.06 -176.36 18.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.38 2.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.398 1.736 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.6 p -62.79 126.06 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 47.85 80.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.64 80.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 129.68 9.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.3 107.67 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -159.15 105.16 1.72 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 55.42 177.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -78.06 0.97 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.473 ' CE ' HG21 ' A' ' 86' ' ' VAL . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 89' ' ' TYR . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.411 ' CE2' ' HE2' ' A' ' 83' ' ' TYR . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 45' ' ' TYR . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.498 HG22 ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 49' ' ' LEU . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' N ' HG21 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 83' ' ' TYR . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.523 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.557 ' NH1' ' CG2' ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.585 HG11 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' N ' ' CD1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.585 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.557 ' CG2' ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' LEU . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' CB ' HD23 ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.474 ' CD1' HD23 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -136.53 -62.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m 48.26 82.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.23 -145.59 3.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -74.38 122.14 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.9 t -169.32 -57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -150.97 -47.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.072 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 63.55 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 149.39 -168.81 29.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 158.58 30.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.81 160.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE2' ' A' ' 89' ' ' TYR . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 25' ' ' GLU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' N ' HD12 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 51' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.593 HG21 ' CE3' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 51' ' ' ARG . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.562 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 61' ' ' GLY . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' CG ' ' CD2' ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.484 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.54 ' CG1' ' O ' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.569 ' CD2' ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.461 ' O ' ' CG2' ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.563 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.437 ' CB ' HD12 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.54 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.464 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.564 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.569 HG22 ' CD1' ' A' ' 94' ' ' TYR . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.489 ' HB2' ' CE1' ' A' ' 94' ' ' TYR . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.571 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -66.04 83.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 p 177.3 150.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.04 155.65 16.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 78.18 2.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 90.55 6.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -79.97 -60.79 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.579 1.174 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -133.69 165.7 24.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.35 133.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 75.22 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -170.62 163.06 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 p -39.68 116.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -81.13 0.07 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 83' ' ' TYR . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 48' ' ' CYS . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' SG ' ' CG2' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.586 HG21 ' CE3' ' A' ' 47' ' ' TRP . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.48 ' HA ' ' CG1' ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 60' ' ' ARG . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.557 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.557 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.523 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.578 HG11 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.414 ' CE2' HD11 ' A' ' 12' ' ' LEU . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 ' CD1' ' CG2' ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.49 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.49 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.411 ' CD2' HG21 ' A' ' 86' ' ' VAL . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -145.46 -56.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.26 122.25 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -162.68 169.96 38.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.97 25.96 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -72.53 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 148.03 25.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.88 170.53 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -177.46 158.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.91 72.42 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.612 1.195 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 173.23 174.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -40.58 113.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.056 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 -81.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.449 ' HA ' ' CG1' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 86' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.538 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 28' ' ' PHE . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 48' ' ' CYS . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' HA ' HG13 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' CB ' HD21 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.49 ' C ' ' O ' ' A' ' 57' ' ' ASP . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 65' ' ' LEU . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.534 ' O ' ' C ' ' A' ' 63' ' ' VAL . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.534 ' C ' ' O ' ' A' ' 62' ' ' ILE . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 60' ' ' ARG . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.457 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.609 HD21 ' CE2' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' CG ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.549 ' CD1' HG21 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 96' ' ' LYS . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.609 ' CE2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' CG2' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.421 HG21 ' NE ' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 109' ' ' PRO . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 116' ' ' GLU . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 94' ' ' TYR . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.473 ' HB3' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.73 129.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -149.07 153.65 38.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.79 169.13 12.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p -126.28 134.46 51.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -132.36 -58.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 81.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -108.19 96.95 6.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.32 98.89 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.7 -70.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 m -41.48 126.36 2.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.67 -131.02 6.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' CE ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 79' ' ' ASP . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.502 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE1' HD13 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG21 ' CE3' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' LEU . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' A' ' 84' ' ' LEU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 83' ' ' TYR . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' CG ' HD22 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.48 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.533 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.802 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.601 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 92' ' ' LYS . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 89' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' VAL . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' LEU . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.512 ' CD2' ' CB ' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.512 ' CB ' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 94' ' ' TYR . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -52.97 -52.1 59.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.18 134.47 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.924 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.51 150.02 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.62 5.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 128.1 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m 65.11 170.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.71 112.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -107.07 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.64 131.3 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.7 108.72 10.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p 175.53 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -70.65 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.618 1.199 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.436 ' HG2' ' CB ' ' A' ' 116' ' ' GLU . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 89' ' ' TYR . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.442 ' HB3' ' CD2' ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 49' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' CYS . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' O ' HG11 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' ARG . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.552 HG11 ' N ' ' A' ' 64' ' ' LEU . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.552 ' N ' HG11 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HB3' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLY . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.501 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.511 ' CE2' HD23 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CG ' HD12 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 117' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 114' ' ' ALA . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.403 ' CG2' ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.478 HD11 ' CG2' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -115.42 -67.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.5 t 55.92 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.87 -156.52 6.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.749 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.3 p -49.05 -24.75 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.8 p -158.82 85.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -114.23 106.78 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.52 107.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.47 1.24 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -52.09 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -136.71 97.73 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.63 -137.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 89' ' ' TYR . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.483 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.541 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.613 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.613 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' SER . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CG2' ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.541 ' CG2' ' N ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.541 ' N ' ' CG2' ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.577 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.577 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.598 ' CD2' ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.418 ' CE2' HD11 ' A' ' 12' ' ' LEU . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.427 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.533 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 101' ' ' VAL . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.598 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.479 ' CD ' ' HB3' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' CD1' ' HB3' ' A' ' 114' ' ' ALA . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 78' ' ' ARG . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.509 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 111' ' ' ASN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.503 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.486 HD21 ' CD1' ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.486 ' CD1' HD21 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt -101.53 69.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.38 91.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.66 -146.37 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.388 1.731 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t -155.56 131.85 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 p -116.32 42.42 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.644 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.53 ' N ' HG13 ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 68' ' ' LEU . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.867 ' CE2' HD11 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 46' ' ' ALA . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 16' ' ' VAL . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' HB3' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.579 ' O ' HG12 ' A' ' 63' ' ' VAL . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' OE1' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.626 HD23 HG22 ' A' ' 63' ' ' VAL . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' HG22 ' A' ' 62' ' ' ILE . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 42' ' ' GLN . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 121' ' ' ILE . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.805 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 108' ' ' GLU . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 105' ' ' LEU . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 117' ' ' LEU . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.896 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD13 ' HE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 53' ' ' LYS . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' A' ' 37' ' ' VAL . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 28' ' ' PHE . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.758 ' HG2' HD11 ' A' ' 68' ' ' LEU . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HD21 ' A' ' 21' ' ' LEU . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.63 ' HA ' HG12 ' A' ' 16' ' ' VAL . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' CB ' HD13 ' A' ' 49' ' ' LEU . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 83' ' ' TYR . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 86' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 65' ' ' LEU . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 82' ' ' PHE . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' HD13 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.711 ' HB2' HG21 ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.835 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.503 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.758 ' O ' HD23 ' A' ' 105' ' ' LEU . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 121' ' ' ILE . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.402 ' HE1' HG23 ' A' ' 86' ' ' VAL . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD21 ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 1.031 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 33.9 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' OE1' HG21 ' A' ' 41' ' ' THR . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.031 HG11 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' LYS . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' HD11 ' A' ' 68' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.422 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 60' ' ' ARG . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.553 ' HA ' HG12 ' A' ' 16' ' ' VAL . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.827 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.867 HG22 HD12 ' A' ' 91' ' ' LEU . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.644 ' CB ' HD11 ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.849 ' CD ' HG22 ' A' ' 62' ' ' ILE . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' A' ' 69' ' ' LEU . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.854 HG13 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 65' ' ' LEU . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.923 ' CE2' HD21 ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.711 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.867 HD12 HG22 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.62 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.776 HG23 ' HG2' ' A' ' 108' ' ' GLU . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.776 ' HG2' HG23 ' A' ' 107' ' ' THR . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' HD11 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.467 ' HB2' ' HE1' ' A' ' 89' ' ' TYR . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.47 ' CE ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.894 ' SD ' HD13 ' A' ' 12' ' ' LEU . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.894 HD13 ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.714 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD23 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.895 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 28' ' ' PHE . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG2' HD11 ' A' ' 68' ' ' LEU . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 21' ' ' LEU . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.825 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 49' ' ' LEU . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG22 ' OE2' ' A' ' 66' ' ' GLU . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.863 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' OE2' HG22 ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.764 HG13 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.676 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG22 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.656 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 118' ' ' GLU . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HD3' HD12 ' A' ' 98' ' ' LEU . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 104' ' ' LEU . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 108' ' ' GLU . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.966 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.966 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.546 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.745 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 89' ' ' TYR . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.872 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.73 ' CD1' HG11 ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' OE1' HG21 ' A' ' 41' ' ' THR . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.512 HG21 ' OE1' ' A' ' 31' ' ' GLU . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 68' ' ' LEU . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 57' ' ' ASP . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.872 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.698 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 55' ' ' ASN . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.854 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.917 HG23 ' CD2' ' A' ' 84' ' ' LEU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD23 HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 80' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 1.006 ' HG3' HD21 ' A' ' 84' ' ' LEU . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 43' ' ' PHE . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 81' ' ' VAL . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.767 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.134 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.943 ' CE1' HD21 ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.757 ' CD1' HG23 ' A' ' 121' ' ' ILE . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 94' ' ' TYR . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.683 HD12 ' HE2' ' A' ' 125' ' ' MET . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.134 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.572 ' N ' HG12 ' A' ' 101' ' ' VAL . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' OE1' ' A' ' 108' ' ' GLU . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.977 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.598 HG23 ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.64 ' OE1' HD11 ' A' ' 104' ' ' LEU . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.977 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' N ' HD11 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.932 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.683 ' HE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.715 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.606 ' CD2' HG13 ' A' ' 86' ' ' VAL . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.854 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 16' ' ' VAL . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLN . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.745 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.621 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.621 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.851 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.825 ' HA ' HG12 ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.854 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 58' ' ' ILE . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' HD12 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.848 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG23 HD23 ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD23 HG23 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 80' ' ' TYR . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.992 ' HG3' HD21 ' A' ' 84' ' ' LEU . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 43' ' ' PHE . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.583 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.798 HG13 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.71 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.07 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 82' ' ' PHE . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD13 HG21 ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.728 ' CD1' HG23 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.07 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.672 ' O ' HD13 ' A' ' 104' ' ' LEU . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.773 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 98' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.728 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' HG12 ' A' ' 11' ' ' VAL . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 120' ' ' LEU . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 12' ' ' LEU . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.885 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HG2' HD11 ' A' ' 68' ' ' LEU . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.52 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' O ' HD22 ' A' ' 49' ' ' LEU . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.546 ' HA ' HG12 ' A' ' 16' ' ' VAL . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.783 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.747 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.61 HG22 ' OE1' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 61' ' ' GLY . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.61 ' OE1' HG22 ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 43' ' ' PHE . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.788 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 117' ' ' LEU . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 58' ' ' ILE . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 HG21 ' A' ' 121' ' ' ILE . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.788 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.658 ' HG2' HG23 ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.436 ' OE2' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.058 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.734 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.743 HD21 HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 16' ' ' VAL . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.881 ' CD1' HG11 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.881 HG11 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' HD21 ' A' ' 68' ' ' LEU . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.689 ' HA ' HG12 ' A' ' 16' ' ' VAL . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 58' ' ' ILE . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 90' ' ' ARG . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.697 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 64' ' ' LEU . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' CB ' HD11 ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 42' ' ' GLN . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HG2' HD13 ' A' ' 69' ' ' LEU . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.781 HG13 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 65' ' ' LEU . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.743 HG22 HD21 ' A' ' 12' ' ' LEU . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.802 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD12 ' CE ' ' A' ' 125' ' ' MET . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.781 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 105' ' ' LEU . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 107' ' ' THR . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 107' ' ' THR . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.418 ' HB2' HD11 ' A' ' 105' ' ' LEU . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.734 HD11 ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.495 ' CE ' HD13 ' A' ' 12' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD21 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.705 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' ' 37' ' ' VAL . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.694 ' HG2' HD11 ' A' ' 68' ' ' LEU . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.679 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD23 HD21 ' A' ' 21' ' ' LEU . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.668 ' HA ' HG12 ' A' ' 16' ' ' VAL . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.612 ' HA ' HD12 ' A' ' 58' ' ' ILE . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 90' ' ' ARG . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 91' ' ' LEU . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.604 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.856 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG13 HD12 ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.702 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 91' ' ' LEU . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.592 ' O ' HD22 ' A' ' 98' ' ' LEU . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.856 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HG3' HD11 ' A' ' 104' ' ' LEU . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.1 HD22 HD11 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.1 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.437 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' CG ' HD22 ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.811 ' HA ' HG12 ' A' ' 16' ' ' VAL . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.693 ' HA ' HD12 ' A' ' 58' ' ' ILE . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 55' ' ' ASN . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.793 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.576 HG22 ' CD ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 63' ' ' VAL . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' CB ' HD11 ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.576 ' CD ' HG22 ' A' ' 62' ' ' ILE . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.846 ' HG2' HD23 ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 117' ' ' LEU . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.651 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 58' ' ' ILE . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.628 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.774 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.867 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.867 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.56 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.402 ' N ' HD21 ' A' ' 105' ' ' LEU . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.123 HD22 HD11 ' A' ' 121' ' ' ILE . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.123 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.628 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 120' ' ' LEU . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 22' ' ' LYS . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HG3' HG12 ' A' ' 18' ' ' VAL . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 37' ' ' VAL . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 28' ' ' PHE . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.956 ' HG2' HD11 ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 60' ' ' ARG . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.784 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.776 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.023 HG23 HD21 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.727 ' CG ' HD11 ' A' ' 84' ' ' LEU . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.956 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.911 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.858 HG13 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 12' ' ' LEU . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CD1' HG13 ' A' ' 121' ' ' ILE . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.662 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 121' ' ' ILE . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' ARG . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.116 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.509 ' HD3' HD12 ' A' ' 98' ' ' LEU . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.692 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.745 HD12 HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.827 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' LEU . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 117' ' ' LEU . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 HG11 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.744 ' CD1' HG11 ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 27' ' ' LYS . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG2' HD11 ' A' ' 68' ' ' LEU . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' NH2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.589 ' HA ' HD12 ' A' ' 58' ' ' ILE . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 ' C ' ' A' ' 87' ' ' GLY . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.763 HG23 HD23 ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CG ' HD23 ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' HD13 ' A' ' 69' ' ' LEU . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.875 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 65' ' ' LEU . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' HD11 ' A' ' 62' ' ' ILE . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.634 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD11 HG22 ' A' ' 58' ' ' ILE . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.609 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.485 HD12 ' HD3' ' A' ' 102' ' ' ARG . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.875 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.905 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.905 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 12' ' ' LEU . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.609 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.866 HD21 ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.931 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 37' ' ' VAL . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 28' ' ' PHE . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.747 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 49' ' ' LEU . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 60' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.931 ' HA ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.81 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 55' ' ' ASN . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HD3' HD13 ' A' ' 91' ' ' LEU . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 84' ' ' LEU . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 84' ' ' LEU . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 ' HB2' ' A' ' 43' ' ' PHE . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.531 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD23 ' A' ' 104' ' ' LEU . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.946 HG12 ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.115 HD13 ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 100' ' ' TYR . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.866 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 59' ' ' ARG . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.115 ' CE1' HD13 ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.708 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 102' ' ' ARG . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 117' ' ' LEU . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.624 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 120' ' ' LEU . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE1' HG11 ' A' ' 37' ' ' VAL . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 28' ' ' PHE . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HD11 ' A' ' 68' ' ' LEU . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.712 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 60' ' ' ARG . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.593 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.516 ' O ' HD21 ' A' ' 91' ' ' LEU . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' CB ' HD22 ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HA ' HD12 ' A' ' 62' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.883 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.827 HG22 ' HG3' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.623 ' CB ' HD11 ' A' ' 84' ' ' LEU . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.827 ' HG3' HG22 ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' A' ' 43' ' ' PHE . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.504 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.804 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 86' ' ' VAL . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 65' ' ' LEU . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 55' ' ' ASN . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.821 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.483 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.891 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.804 HG21 ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 107' ' ' THR . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.0 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 117' ' ' LEU . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 1.0 HD11 HD22 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 86' ' ' VAL . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG21 ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 37' ' ' VAL . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' PHE . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.906 ' HG2' HD11 ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.78 ' O ' HG21 ' A' ' 16' ' ' VAL . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 60' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.671 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' A' ' 58' ' ' ILE . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 49' ' ' LEU . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.727 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.595 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.831 HG23 HD23 ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.653 ' CB ' HD11 ' A' ' 84' ' ' LEU . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.637 ' CG ' HD21 ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.906 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.858 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.858 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 12' ' ' LEU . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.622 ' CD1' HG23 ' A' ' 121' ' ' ILE . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD12 ' CD ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.723 ' CD ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.534 ' HB2' HG11 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 98' ' ' LEU . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 117' ' ' LEU . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.742 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.015 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.731 ' C ' HD13 ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 41' ' ' THR . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 37' ' ' VAL . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' PHE . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 27' ' ' LYS . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HB3' HD11 ' A' ' 68' ' ' LEU . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 68' ' ' LEU . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.797 ' O ' HD22 ' A' ' 49' ' ' LEU . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.676 ' SG ' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.924 HG13 ' HA3' ' A' ' 61' ' ' GLY . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 1.015 ' HA ' HG12 ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.85 ' O ' HG13 ' A' ' 63' ' ' VAL . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.924 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.776 HG22 ' CD ' ' A' ' 66' ' ' GLU . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 59' ' ' ARG . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.847 HD23 HG23 ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.776 ' CD ' HG22 ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 65' ' ' LEU . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' TYR . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 65' ' ' LEU . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.768 ' CD1' HG21 ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.783 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 107' ' ' THR . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.783 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.742 HD11 ' HG2' ' A' ' 8' ' ' MET . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.639 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.638 HG11 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 31' ' ' GLU . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 49' ' ' LEU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.053 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 16' ' ' VAL . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.588 HG13 ' HA3' ' A' ' 61' ' ' GLY . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.471 HH21 HG23 ' A' ' 16' ' ' VAL . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' CB ' HD22 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.569 HG22 ' OE1' ' A' ' 66' ' ' GLU . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 64' ' ' LEU . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.569 ' OE1' HG22 ' A' ' 62' ' ' ILE . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.885 HG13 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.714 ' CD1' HG23 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.885 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.56 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.795 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 105' ' ' LEU . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.795 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 8' ' ' MET . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.808 HD13 HG22 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.791 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG2' HD11 ' A' ' 68' ' ' LEU . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 68' ' ' LEU . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 1.077 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.077 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.888 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' ' 90' ' ' ARG . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.745 HG22 ' OE2' ' A' ' 66' ' ' GLU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 59' ' ' ARG . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.865 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.677 HD13 ' HB1' ' A' ' 46' ' ' ALA . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HG3' HD21 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 43' ' ' PHE . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.535 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.787 HG13 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.877 ' HA ' HG12 ' A' ' 86' ' ' VAL . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.019 HD13 ' CZ ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.877 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.696 ' CE1' HD21 ' A' ' 12' ' ' LEU . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.763 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.709 HD11 HG22 ' A' ' 58' ' ' ILE . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.019 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 104' ' ' LEU . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.984 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 108' ' ' GLU . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 107' ' ' THR . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.984 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 105' ' ' LEU . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 98' ' ' LEU . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.447 ' HA ' HG12 ' A' ' 11' ' ' VAL . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 12' ' ' LEU . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 53' ' ' LYS . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.693 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.804 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 68' ' ' LEU . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.918 ' O ' HD22 ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.995 ' HB3' HD12 ' A' ' 21' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.918 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.829 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.976 ' HA ' HD12 ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.976 HD12 ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 62' ' ' ILE . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.848 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.877 ' O ' HD22 ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.609 HG23 ' HG3' ' A' ' 66' ' ' GLU . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 60' ' ' ARG . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD23 HG13 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG3' HG23 ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 42' ' ' GLN . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.719 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.719 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.818 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.804 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.463 ' CE2' HD21 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.687 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.499 HD12 ' HD3' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 98' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.499 ' HD3' HD12 ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 108' ' ' GLU . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.818 HG21 ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.762 ' HG2' HG23 ' A' ' 107' ' ' THR . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.944 HD22 HD11 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.944 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 12' ' ' LEU . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.641 ' N ' HG13 ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.614 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.674 ' OE1' HD21 ' A' ' 68' ' ' LEU . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' ARG . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CE3' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.791 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.547 ' HB3' HD22 ' A' ' 49' ' ' LEU . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.689 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.439 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.759 HG22 ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.774 HG23 HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD23 HG23 ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CB ' HD11 ' A' ' 84' ' ' LEU . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.759 ' HG3' HG22 ' A' ' 62' ' ' ILE . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.876 HD22 ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' O ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.67 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.749 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 102' ' ' ARG . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.851 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.833 ' HD2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 108' ' ' GLU . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 101' ' ' VAL . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.661 ' HB2' HD13 ' A' ' 104' ' ' LEU . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.933 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.749 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m 59.83 90.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 63.35 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -97.79 1.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 50.98 68.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -61.77 -68.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -72.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.644 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.53 ' N ' HG13 ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 68' ' ' LEU . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.867 ' CE2' HD11 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 46' ' ' ALA . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 16' ' ' VAL . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' HB3' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' O ' HG12 ' A' ' 63' ' ' VAL . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' OE1' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.626 HD23 HG22 ' A' ' 63' ' ' VAL . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' HG22 ' A' ' 62' ' ' ILE . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 42' ' ' GLN . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 121' ' ' ILE . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.805 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 108' ' ' GLU . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 105' ' ' LEU . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 117' ' ' LEU . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.896 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -52.78 -59.58 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.62 122.26 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -138.13 166.4 25.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -43.9 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.472 1.774 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.59 157.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.0 t -101.56 101.01 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.68 101.39 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -126.25 134.17 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.045 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.92 169.49 28.01 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.475 1.11 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -72.06 143.87 48.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.64 159.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 -109.72 2.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD13 ' HE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 53' ' ' LYS . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' A' ' 37' ' ' VAL . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 28' ' ' PHE . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.758 ' HG2' HD11 ' A' ' 68' ' ' LEU . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HD21 ' A' ' 21' ' ' LEU . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.63 ' HA ' HG12 ' A' ' 16' ' ' VAL . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' CB ' HD13 ' A' ' 49' ' ' LEU . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 83' ' ' TYR . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 86' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 65' ' ' LEU . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 82' ' ' PHE . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' HD13 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.711 ' HB2' HG21 ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.835 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.503 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.758 ' O ' HD23 ' A' ' 105' ' ' LEU . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 121' ' ' ILE . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -94.95 51.84 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 p -145.27 -47.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.966 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.11 152.11 6.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.37 160.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.28 109.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -155.3 77.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 0.807 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.03 155.68 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.78 148.22 5.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -56.46 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -79.04 145.68 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -78.56 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.402 ' HE1' HG23 ' A' ' 86' ' ' VAL . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD21 ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 1.031 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 33.9 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' OE1' HG21 ' A' ' 41' ' ' THR . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.031 HG11 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' LYS . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' HD11 ' A' ' 68' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.422 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 60' ' ' ARG . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HA ' HG12 ' A' ' 16' ' ' VAL . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.827 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.867 HG22 HD12 ' A' ' 91' ' ' LEU . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.644 ' CB ' HD11 ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.849 ' CD ' HG22 ' A' ' 62' ' ' ILE . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' A' ' 69' ' ' LEU . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.854 HG13 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 65' ' ' LEU . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.923 ' CE2' HD21 ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.711 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.867 HD12 HG22 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.62 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.776 HG23 ' HG2' ' A' ' 108' ' ' GLU . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.776 ' HG2' HG23 ' A' ' 107' ' ' THR . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' HD11 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.467 ' HB2' ' HE1' ' A' ' 89' ' ' TYR . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.47 ' CE ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 81.09 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.45 167.99 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -168.06 -158.0 11.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.0 3.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.9 m -148.71 167.06 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -93.53 -58.04 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m 55.24 83.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.069 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.24 130.52 56.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 167.13 37.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.46 -56.57 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 0.8 . . . . 0.0 109.953 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -63.21 146.49 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.59 -101.06 0.15 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.894 ' SD ' HD13 ' A' ' 12' ' ' LEU . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.894 HD13 ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.714 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD23 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.895 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 28' ' ' PHE . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG2' HD11 ' A' ' 68' ' ' LEU . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 21' ' ' LEU . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.825 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 49' ' ' LEU . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG22 ' OE2' ' A' ' 66' ' ' GLU . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.863 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' OE2' HG22 ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.764 HG13 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.676 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG22 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.656 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 118' ' ' GLU . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HD3' HD12 ' A' ' 98' ' ' LEU . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 104' ' ' LEU . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 108' ' ' GLU . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.966 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.966 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.546 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -138.08 66.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.59 162.93 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.93 -125.41 1.93 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.21 27.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -54.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 110.107 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 130.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -117.85 132.22 56.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.97 167.92 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 90.88 0.79 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -162.78 161.28 26.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -54.64 128.59 33.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -79.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.745 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 89' ' ' TYR . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.872 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.73 ' CD1' HG11 ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' OE1' HG21 ' A' ' 41' ' ' THR . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.512 HG21 ' OE1' ' A' ' 31' ' ' GLU . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 68' ' ' LEU . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 57' ' ' ASP . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.872 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.698 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 55' ' ' ASN . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.854 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.917 HG23 ' CD2' ' A' ' 84' ' ' LEU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD23 HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 80' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 1.006 ' HG3' HD21 ' A' ' 84' ' ' LEU . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 43' ' ' PHE . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 81' ' ' VAL . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.767 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.134 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.943 ' CE1' HD21 ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.757 ' CD1' HG23 ' A' ' 121' ' ' ILE . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 94' ' ' TYR . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.683 HD12 ' HE2' ' A' ' 125' ' ' MET . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.134 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.572 ' N ' HG12 ' A' ' 101' ' ' VAL . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' OE1' ' A' ' 108' ' ' GLU . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.977 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' NE2' ' O ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.598 HG23 ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.64 ' OE1' HD11 ' A' ' 104' ' ' LEU . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.977 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' N ' HD11 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.932 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.683 ' HE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -121.35 -50.53 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -138.42 135.17 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.4 -146.88 11.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -56.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 p -115.72 114.47 24.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -59.95 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.626 1.204 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m 48.82 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -160.87 134.47 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.08 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.33 125.96 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.94 168.34 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.066 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -119.79 -69.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.68 -133.03 11.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.715 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.606 ' CD2' HG13 ' A' ' 86' ' ' VAL . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.854 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 16' ' ' VAL . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLN . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.745 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.621 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.621 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.851 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.825 ' HA ' HG12 ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.854 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 58' ' ' ILE . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' HD12 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.848 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG23 HD23 ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD23 HG23 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 80' ' ' TYR . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.992 ' HG3' HD21 ' A' ' 84' ' ' LEU . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 43' ' ' PHE . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.583 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.798 HG13 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.71 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.07 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 82' ' ' PHE . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD13 HG21 ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.728 ' CD1' HG23 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.07 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.672 ' O ' HD13 ' A' ' 104' ' ' LEU . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.773 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 98' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.728 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -53.62 -69.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.8 t 56.59 91.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -76.53 170.25 54.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 154.51 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.92 85.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.9 p -42.77 138.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -169.59 153.66 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.45 110.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 152.97 7.32 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.566 1.166 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -134.13 160.0 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 0.826 . . . . 0.0 109.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -158.81 -63.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 -179.46 16.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' HG12 ' A' ' 11' ' ' VAL . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 120' ' ' LEU . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 12' ' ' LEU . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.885 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HG2' HD11 ' A' ' 68' ' ' LEU . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.52 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' O ' HD22 ' A' ' 49' ' ' LEU . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.546 ' HA ' HG12 ' A' ' 16' ' ' VAL . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.783 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.747 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.61 HG22 ' OE1' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 61' ' ' GLY . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.61 ' OE1' HG22 ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 43' ' ' PHE . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.788 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 117' ' ' LEU . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 58' ' ' ILE . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 HG21 ' A' ' 121' ' ' ILE . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.788 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.658 ' HG2' HG23 ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.436 ' OE2' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.058 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -52.23 -54.78 26.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.93 147.59 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.058 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.92 -176.51 20.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 170.02 21.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.8 t -155.67 113.22 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m 73.06 -67.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 110.956 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 56.45 165.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -129.55 98.04 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.45 -93.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -121.15 109.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.7 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . . . 157.47 -158.86 29.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.734 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.743 HD21 HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 16' ' ' VAL . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.881 ' CD1' HG11 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.881 HG11 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' HD21 ' A' ' 68' ' ' LEU . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.689 ' HA ' HG12 ' A' ' 16' ' ' VAL . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 58' ' ' ILE . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 90' ' ' ARG . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.697 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 64' ' ' LEU . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' CB ' HD11 ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 42' ' ' GLN . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HG2' HD13 ' A' ' 69' ' ' LEU . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.781 HG13 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 65' ' ' LEU . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.743 HG22 HD21 ' A' ' 12' ' ' LEU . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.802 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD12 ' CE ' ' A' ' 125' ' ' MET . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.781 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 105' ' ' LEU . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 107' ' ' THR . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 107' ' ' THR . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.418 ' HB2' HD11 ' A' ' 105' ' ' LEU . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.734 HD11 ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -141.87 -61.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.38 -174.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -176.36 177.99 47.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.07 8.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -142.76 103.32 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -89.55 138.24 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.84 160.93 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.73 86.51 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.29 -179.98 15.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -143.8 89.05 2.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 0.75 . . . . 0.0 109.923 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -103.48 101.86 11.75 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.06 -112.41 1.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.495 ' CE ' HD13 ' A' ' 12' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD21 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.705 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' ' 37' ' ' VAL . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.694 ' HG2' HD11 ' A' ' 68' ' ' LEU . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.679 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD23 HD21 ' A' ' 21' ' ' LEU . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.668 ' HA ' HG12 ' A' ' 16' ' ' VAL . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.612 ' HA ' HD12 ' A' ' 58' ' ' ILE . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 90' ' ' ARG . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 91' ' ' LEU . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.604 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.856 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG13 HD12 ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.702 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 91' ' ' LEU . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.592 ' O ' HD22 ' A' ' 98' ' ' LEU . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.856 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HG3' HD11 ' A' ' 104' ' ' LEU . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.1 HD22 HD11 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.1 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -71.42 75.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 175.22 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.7 25.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.071 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 145.83 31.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.63 147.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -164.3 158.53 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -170.63 132.32 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -176.0 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.59 166.72 20.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.41 94.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 63.42 68.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.66 -119.23 3.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.437 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' CG ' HD22 ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.811 ' HA ' HG12 ' A' ' 16' ' ' VAL . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.693 ' HA ' HD12 ' A' ' 58' ' ' ILE . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 55' ' ' ASN . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.793 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.576 HG22 ' CD ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 63' ' ' VAL . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' CB ' HD11 ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.576 ' CD ' HG22 ' A' ' 62' ' ' ILE . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.846 ' HG2' HD23 ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 117' ' ' LEU . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.651 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 58' ' ' ILE . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.628 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.774 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.867 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.867 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.56 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.402 ' N ' HD21 ' A' ' 105' ' ' LEU . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.123 HD22 HD11 ' A' ' 121' ' ' ILE . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.123 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.628 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt -70.85 67.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -96.35 -177.05 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.84 -145.5 9.97 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.8 3.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -145.22 163.32 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 t -139.1 160.57 39.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.82 89.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.68 105.96 14.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 -156.38 9.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -158.43 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -76.26 135.71 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.34 -90.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 120' ' ' LEU . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 22' ' ' LYS . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HG3' HG12 ' A' ' 18' ' ' VAL . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 37' ' ' VAL . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 28' ' ' PHE . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.956 ' HG2' HD11 ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 60' ' ' ARG . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.784 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.776 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.023 HG23 HD21 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.727 ' CG ' HD11 ' A' ' 84' ' ' LEU . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.956 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.911 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.858 HG13 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 12' ' ' LEU . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CD1' HG13 ' A' ' 121' ' ' ILE . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.662 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 121' ' ' ILE . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' ARG . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.116 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.509 ' HD3' HD12 ' A' ' 98' ' ' LEU . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.692 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.745 HD12 HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt -55.71 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.7 p 44.29 86.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -74.13 155.29 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.16 25.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.398 1.736 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 p -144.55 -64.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.38 -59.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.21 103.26 6.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.055 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 163.69 38.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 93.83 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.98 -63.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -92.31 153.47 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 -94.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.827 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' LEU . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 117' ' ' LEU . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 HG11 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.744 ' CD1' HG11 ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 27' ' ' LYS . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG2' HD11 ' A' ' 68' ' ' LEU . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' NH2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.589 ' HA ' HD12 ' A' ' 58' ' ' ILE . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 ' C ' ' A' ' 87' ' ' GLY . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.763 HG23 HD23 ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CG ' HD23 ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' HD13 ' A' ' 69' ' ' LEU . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.875 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 65' ' ' LEU . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' HD11 ' A' ' 62' ' ' ILE . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.634 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD11 HG22 ' A' ' 58' ' ' ILE . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.609 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.485 HD12 ' HD3' ' A' ' 102' ' ' ARG . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.875 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.905 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.905 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 12' ' ' LEU . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.609 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -103.2 95.88 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m -48.0 141.01 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.02 30.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.22 27.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.589 1.837 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 175.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.7 p 171.3 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 0.0 109.956 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -41.93 123.65 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 0.704 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.79 167.7 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.65 -94.3 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.82 99.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.952 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -61.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -160.13 27.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.866 HD21 ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.931 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 37' ' ' VAL . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 28' ' ' PHE . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.747 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 49' ' ' LEU . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 60' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.931 ' HA ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.81 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 55' ' ' ASN . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HD3' HD13 ' A' ' 91' ' ' LEU . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 84' ' ' LEU . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 84' ' ' LEU . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 ' HB2' ' A' ' 43' ' ' PHE . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.531 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD23 ' A' ' 104' ' ' LEU . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.946 HG12 ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.115 HD13 ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 100' ' ' TYR . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.866 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 59' ' ' ARG . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.115 ' CE1' HD13 ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.708 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 102' ' ' ARG . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 117' ' ' LEU . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.624 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -60.93 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.1 t -46.56 133.47 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 128.06 -176.36 18.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.38 2.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.398 1.736 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.6 p -62.79 126.06 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 47.85 80.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.64 80.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 129.68 9.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.3 107.67 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -159.15 105.16 1.72 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 55.42 177.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -78.06 0.97 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 120' ' ' LEU . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE1' HG11 ' A' ' 37' ' ' VAL . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 28' ' ' PHE . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HD11 ' A' ' 68' ' ' LEU . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.712 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 60' ' ' ARG . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.593 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.516 ' O ' HD21 ' A' ' 91' ' ' LEU . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' CB ' HD22 ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HA ' HD12 ' A' ' 62' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.883 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.827 HG22 ' HG3' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.623 ' CB ' HD11 ' A' ' 84' ' ' LEU . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.827 ' HG3' HG22 ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' A' ' 43' ' ' PHE . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.504 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.804 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 86' ' ' VAL . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 65' ' ' LEU . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 55' ' ' ASN . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.821 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.483 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.891 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.804 HG21 ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 107' ' ' THR . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.0 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 117' ' ' LEU . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 1.0 HD11 HD22 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -136.53 -62.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m 48.26 82.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.23 -145.59 3.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -74.38 122.14 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.9 t -169.32 -57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -150.97 -47.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.072 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 63.55 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 149.39 -168.81 29.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 158.58 30.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.81 160.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 86' ' ' VAL . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG21 ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 37' ' ' VAL . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' PHE . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.906 ' HG2' HD11 ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.78 ' O ' HG21 ' A' ' 16' ' ' VAL . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 60' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.671 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' A' ' 58' ' ' ILE . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 49' ' ' LEU . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.727 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.595 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.831 HG23 HD23 ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.653 ' CB ' HD11 ' A' ' 84' ' ' LEU . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.637 ' CG ' HD21 ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.906 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.858 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.858 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 12' ' ' LEU . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.622 ' CD1' HG23 ' A' ' 121' ' ' ILE . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD12 ' CD ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.723 ' CD ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.534 ' HB2' HG11 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 98' ' ' LEU . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 117' ' ' LEU . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -66.04 83.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 p 177.3 150.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.04 155.65 16.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 78.18 2.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 90.55 6.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -79.97 -60.79 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.579 1.174 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -133.69 165.7 24.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.35 133.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 75.22 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -170.62 163.06 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 p -39.68 116.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -81.13 0.07 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.742 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.015 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.731 ' C ' HD13 ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 41' ' ' THR . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 37' ' ' VAL . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' PHE . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 27' ' ' LYS . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HB3' HD11 ' A' ' 68' ' ' LEU . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 68' ' ' LEU . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.797 ' O ' HD22 ' A' ' 49' ' ' LEU . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.676 ' SG ' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.924 HG13 ' HA3' ' A' ' 61' ' ' GLY . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 1.015 ' HA ' HG12 ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.85 ' O ' HG13 ' A' ' 63' ' ' VAL . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.924 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.776 HG22 ' CD ' ' A' ' 66' ' ' GLU . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 59' ' ' ARG . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.847 HD23 HG23 ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.776 ' CD ' HG22 ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 65' ' ' LEU . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' TYR . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 65' ' ' LEU . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.768 ' CD1' HG21 ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.783 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 107' ' ' THR . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.783 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.742 HD11 ' HG2' ' A' ' 8' ' ' MET . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -145.46 -56.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.26 122.25 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -162.68 169.96 38.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.97 25.96 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -72.53 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 148.03 25.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.88 170.53 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -177.46 158.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.91 72.42 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.612 1.195 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 173.23 174.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -40.58 113.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.056 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 -81.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.639 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG11 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 31' ' ' GLU . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 49' ' ' LEU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.053 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 16' ' ' VAL . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.588 HG13 ' HA3' ' A' ' 61' ' ' GLY . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 HH21 HG23 ' A' ' 16' ' ' VAL . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' CB ' HD22 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.569 HG22 ' OE1' ' A' ' 66' ' ' GLU . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 64' ' ' LEU . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.569 ' OE1' HG22 ' A' ' 62' ' ' ILE . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.885 HG13 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.714 ' CD1' HG23 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.885 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.56 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.795 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 105' ' ' LEU . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.795 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 8' ' ' MET . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.73 129.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -149.07 153.65 38.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.79 169.13 12.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p -126.28 134.46 51.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -132.36 -58.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 81.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -108.19 96.95 6.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.32 98.89 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.7 -70.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 m -41.48 126.36 2.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.67 -131.02 6.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.808 HD13 HG22 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.791 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG2' HD11 ' A' ' 68' ' ' LEU . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 68' ' ' LEU . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 1.077 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.077 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.888 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' ' 90' ' ' ARG . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.745 HG22 ' OE2' ' A' ' 66' ' ' GLU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 59' ' ' ARG . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.865 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.677 HD13 ' HB1' ' A' ' 46' ' ' ALA . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HG3' HD21 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 43' ' ' PHE . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.535 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.787 HG13 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.877 ' HA ' HG12 ' A' ' 86' ' ' VAL . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.019 HD13 ' CZ ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.877 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.696 ' CE1' HD21 ' A' ' 12' ' ' LEU . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.763 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.709 HD11 HG22 ' A' ' 58' ' ' ILE . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.019 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 104' ' ' LEU . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.984 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 108' ' ' GLU . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 107' ' ' THR . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.984 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 105' ' ' LEU . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 98' ' ' LEU . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -52.97 -52.1 59.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.18 134.47 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.924 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.51 150.02 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.62 5.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 128.1 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m 65.11 170.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.71 112.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -107.07 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.64 131.3 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.7 108.72 10.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p 175.53 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -70.65 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.618 1.199 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.447 ' HA ' HG12 ' A' ' 11' ' ' VAL . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 12' ' ' LEU . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 53' ' ' LYS . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.693 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.804 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 68' ' ' LEU . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.918 ' O ' HD22 ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.995 ' HB3' HD12 ' A' ' 21' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.918 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.829 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.976 ' HA ' HD12 ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.976 HD12 ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 62' ' ' ILE . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.848 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.877 ' O ' HD22 ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.609 HG23 ' HG3' ' A' ' 66' ' ' GLU . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 60' ' ' ARG . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD23 HG13 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG3' HG23 ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 42' ' ' GLN . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.719 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.719 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.818 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.804 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.463 ' CE2' HD21 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.687 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.499 HD12 ' HD3' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 98' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.499 ' HD3' HD12 ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 108' ' ' GLU . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.818 HG21 ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.762 ' HG2' HG23 ' A' ' 107' ' ' THR . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.944 HD22 HD11 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.944 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -115.42 -67.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.5 t 55.92 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.87 -156.52 6.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.749 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.3 p -49.05 -24.75 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.8 p -158.82 85.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -114.23 106.78 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.52 107.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.47 1.24 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -52.09 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -136.71 97.73 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.63 -137.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 12' ' ' LEU . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.641 ' N ' HG13 ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.614 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.674 ' OE1' HD21 ' A' ' 68' ' ' LEU . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' ARG . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CE3' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.791 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.547 ' HB3' HD22 ' A' ' 49' ' ' LEU . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.689 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.439 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.759 HG22 ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.774 HG23 HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD23 HG23 ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CB ' HD11 ' A' ' 84' ' ' LEU . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.759 ' HG3' HG22 ' A' ' 62' ' ' ILE . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.876 HD22 ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' O ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.67 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.749 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 102' ' ' ARG . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.851 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.833 ' HD2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 108' ' ' GLU . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 101' ' ' VAL . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.661 ' HB2' HD13 ' A' ' 104' ' ' LEU . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.933 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.749 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt -101.53 69.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.38 91.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.66 -146.37 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.388 1.731 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t -155.56 131.85 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 p -116.32 42.42 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.644 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.53 ' N ' HG13 ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 68' ' ' LEU . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.867 ' CE2' HD11 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 46' ' ' ALA . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 16' ' ' VAL . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' HB3' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.579 ' O ' HG12 ' A' ' 63' ' ' VAL . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' OE1' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.626 HD23 HG22 ' A' ' 63' ' ' VAL . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' HG22 ' A' ' 62' ' ' ILE . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 42' ' ' GLN . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 121' ' ' ILE . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.805 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 108' ' ' GLU . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 105' ' ' LEU . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 117' ' ' LEU . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.896 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.54 HD13 ' HE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 53' ' ' LYS . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' A' ' 37' ' ' VAL . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 28' ' ' PHE . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.758 ' HG2' HD11 ' A' ' 68' ' ' LEU . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HD21 ' A' ' 21' ' ' LEU . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.63 ' HA ' HG12 ' A' ' 16' ' ' VAL . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' CB ' HD13 ' A' ' 49' ' ' LEU . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 83' ' ' TYR . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 86' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 65' ' ' LEU . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 82' ' ' PHE . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' HD13 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.711 ' HB2' HG21 ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.835 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.503 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.758 ' O ' HD23 ' A' ' 105' ' ' LEU . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 121' ' ' ILE . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.402 ' HE1' HG23 ' A' ' 86' ' ' VAL . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.535 HG21 HE21 ' A' ' 113' ' ' GLN . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD21 ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 1.031 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 58.4 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' OE1' HG21 ' A' ' 41' ' ' THR . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.031 HG11 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' LYS . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' HD11 ' A' ' 68' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.422 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 60' ' ' ARG . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.553 ' HA ' HG12 ' A' ' 16' ' ' VAL . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.827 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.867 HG22 HD12 ' A' ' 91' ' ' LEU . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.644 ' CB ' HD11 ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.849 ' CD ' HG22 ' A' ' 62' ' ' ILE . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' A' ' 69' ' ' LEU . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.854 HG13 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 65' ' ' LEU . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.923 ' CE2' HD21 ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.711 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.867 HD12 HG22 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.62 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.776 HG23 ' HG2' ' A' ' 108' ' ' GLU . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.776 ' HG2' HG23 ' A' ' 107' ' ' THR . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.535 HE21 HG21 ' A' ' 11' ' ' VAL . 58.6 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' HD11 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.467 ' HB2' ' HE1' ' A' ' 89' ' ' TYR . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.47 ' CE ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.894 ' SD ' HD13 ' A' ' 12' ' ' LEU . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.894 HD13 ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.714 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD23 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.895 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 28' ' ' PHE . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG2' HD11 ' A' ' 68' ' ' LEU . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 21' ' ' LEU . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.825 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 49' ' ' LEU . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG22 ' OE2' ' A' ' 66' ' ' GLU . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.863 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' OE2' HG22 ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.764 HG13 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.676 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.538 HG22 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.656 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 118' ' ' GLU . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HD3' HD12 ' A' ' 98' ' ' LEU . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 108' ' ' GLU . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.966 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.966 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.546 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.745 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 89' ' ' TYR . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.872 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.73 ' CD1' HG11 ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' OE1' HG21 ' A' ' 41' ' ' THR . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.512 HG21 ' OE1' ' A' ' 31' ' ' GLU . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 68' ' ' LEU . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 57' ' ' ASP . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.872 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.698 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 55' ' ' ASN . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.854 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.917 HG23 ' CD2' ' A' ' 84' ' ' LEU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD23 HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 80' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 1.006 ' HG3' HD21 ' A' ' 84' ' ' LEU . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 43' ' ' PHE . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 81' ' ' VAL . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.767 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.134 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.943 ' CE1' HD21 ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.757 ' CD1' HG23 ' A' ' 121' ' ' ILE . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 94' ' ' TYR . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.683 HD12 ' HE2' ' A' ' 125' ' ' MET . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.134 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.572 ' N ' HG12 ' A' ' 101' ' ' VAL . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' OE1' ' A' ' 108' ' ' GLU . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.977 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.598 HG23 ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.64 ' OE1' HD11 ' A' ' 104' ' ' LEU . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.977 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' N ' HD11 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.932 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.683 ' HE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.715 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.606 ' CD2' HG13 ' A' ' 86' ' ' VAL . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.854 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 16' ' ' VAL . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLN . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.745 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.621 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.621 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.851 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.825 ' HA ' HG12 ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.854 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 58' ' ' ILE . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' HD12 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.848 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG23 HD23 ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD23 HG23 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 80' ' ' TYR . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.992 ' HG3' HD21 ' A' ' 84' ' ' LEU . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 43' ' ' PHE . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.583 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.819 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.798 HG13 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.71 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.07 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 82' ' ' PHE . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.722 HD13 HG21 ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.728 ' CD1' HG23 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.07 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.773 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 98' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.728 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' HG12 ' A' ' 11' ' ' VAL . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 120' ' ' LEU . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 12' ' ' LEU . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.515 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.885 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HG2' HD11 ' A' ' 68' ' ' LEU . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.52 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.853 ' O ' HD22 ' A' ' 49' ' ' LEU . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.546 ' HA ' HG12 ' A' ' 16' ' ' VAL . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.783 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.747 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.61 HG22 ' OE1' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 61' ' ' GLY . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.61 ' OE1' HG22 ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 43' ' ' PHE . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.788 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 117' ' ' LEU . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 58' ' ' ILE . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 HG21 ' A' ' 121' ' ' ILE . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.788 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.658 ' HG2' HG23 ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.436 ' OE2' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.058 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.734 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.743 HD21 HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 16' ' ' VAL . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.881 ' CD1' HG11 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.881 HG11 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' HD21 ' A' ' 68' ' ' LEU . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.689 ' HA ' HG12 ' A' ' 16' ' ' VAL . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 58' ' ' ILE . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 90' ' ' ARG . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.697 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.573 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' CB ' HD11 ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 42' ' ' GLN . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HG2' HD13 ' A' ' 69' ' ' LEU . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.781 HG13 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 65' ' ' LEU . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.743 HG22 HD21 ' A' ' 12' ' ' LEU . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.802 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD12 ' CE ' ' A' ' 125' ' ' MET . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.781 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 105' ' ' LEU . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 107' ' ' THR . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 107' ' ' THR . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.418 ' HB2' HD11 ' A' ' 105' ' ' LEU . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.734 HD11 ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.495 ' CE ' HD13 ' A' ' 12' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD21 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.705 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' ' 37' ' ' VAL . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.694 ' HG2' HD11 ' A' ' 68' ' ' LEU . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.679 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD23 HD21 ' A' ' 21' ' ' LEU . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.668 ' HA ' HG12 ' A' ' 16' ' ' VAL . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.612 ' HA ' HD12 ' A' ' 58' ' ' ILE . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 90' ' ' ARG . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 91' ' ' LEU . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.604 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.856 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.702 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 91' ' ' LEU . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.592 ' O ' HD22 ' A' ' 98' ' ' LEU . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.856 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HG3' HD11 ' A' ' 104' ' ' LEU . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.1 HD22 HD11 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.1 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.437 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' CG ' HD22 ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.811 ' HA ' HG12 ' A' ' 16' ' ' VAL . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.693 ' HA ' HD12 ' A' ' 58' ' ' ILE . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 55' ' ' ASN . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.793 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.576 HG22 ' CD ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 63' ' ' VAL . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 ' CB ' HD11 ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.576 ' CD ' HG22 ' A' ' 62' ' ' ILE . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.846 ' HG2' HD23 ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 117' ' ' LEU . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.651 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 58' ' ' ILE . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.628 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.774 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.867 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.867 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.56 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.402 ' N ' HD21 ' A' ' 105' ' ' LEU . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.123 HD22 HD11 ' A' ' 121' ' ' ILE . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.123 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.628 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 120' ' ' LEU . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 22' ' ' LYS . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HG3' HG12 ' A' ' 18' ' ' VAL . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 37' ' ' VAL . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 28' ' ' PHE . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.956 ' HG2' HD11 ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 60' ' ' ARG . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.784 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.776 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.023 HG23 HD21 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.727 ' CG ' HD11 ' A' ' 84' ' ' LEU . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.956 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.911 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.911 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.858 HG13 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 12' ' ' LEU . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CD1' HG13 ' A' ' 121' ' ' ILE . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.662 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 121' ' ' ILE . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' ARG . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.116 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.509 ' HD3' HD12 ' A' ' 98' ' ' LEU . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.692 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.745 HD12 HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.827 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' LEU . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 117' ' ' LEU . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 HG11 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.744 ' CD1' HG11 ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 27' ' ' LYS . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG2' HD11 ' A' ' 68' ' ' LEU . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' NH2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.589 ' HA ' HD12 ' A' ' 58' ' ' ILE . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 ' C ' ' A' ' 87' ' ' GLY . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.763 HG23 HD23 ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CG ' HD23 ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.79 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' HD13 ' A' ' 69' ' ' LEU . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.875 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 65' ' ' LEU . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.616 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' HD11 ' A' ' 62' ' ' ILE . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.634 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.623 HD11 HG22 ' A' ' 58' ' ' ILE . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.609 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.485 HD12 ' HD3' ' A' ' 102' ' ' ARG . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.875 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.905 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.905 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 12' ' ' LEU . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.609 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.866 HD21 ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.931 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 37' ' ' VAL . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 28' ' ' PHE . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.747 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 49' ' ' LEU . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 60' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.931 ' HA ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.81 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 55' ' ' ASN . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HD3' HD13 ' A' ' 91' ' ' LEU . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 84' ' ' LEU . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 84' ' ' LEU . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 ' HB2' ' A' ' 43' ' ' PHE . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.531 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD23 ' A' ' 104' ' ' LEU . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.946 HG12 ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.115 HD13 ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 100' ' ' TYR . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.866 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 59' ' ' ARG . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.115 ' CE1' HD13 ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.708 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 102' ' ' ARG . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 117' ' ' LEU . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.624 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 120' ' ' LEU . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE1' HG11 ' A' ' 37' ' ' VAL . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 28' ' ' PHE . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HD11 ' A' ' 68' ' ' LEU . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.712 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 60' ' ' ARG . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.593 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.516 ' O ' HD21 ' A' ' 91' ' ' LEU . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' CB ' HD22 ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HA ' HD12 ' A' ' 62' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.883 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.827 HG22 ' HG3' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.623 ' CB ' HD11 ' A' ' 84' ' ' LEU . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.827 ' HG3' HG22 ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' A' ' 43' ' ' PHE . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.504 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.804 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 86' ' ' VAL . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 65' ' ' LEU . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 55' ' ' ASN . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.821 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.483 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.891 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.804 HG21 ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 107' ' ' THR . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.0 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 117' ' ' LEU . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 1.0 HD11 HD22 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 86' ' ' VAL . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.78 HG21 ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 37' ' ' VAL . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' PHE . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.906 ' HG2' HD11 ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.78 ' O ' HG21 ' A' ' 16' ' ' VAL . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 60' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.671 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' A' ' 58' ' ' ILE . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 49' ' ' LEU . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.727 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.595 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.831 HG23 HD23 ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.653 ' CB ' HD11 ' A' ' 84' ' ' LEU . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.637 ' CG ' HD21 ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.906 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.858 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.858 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 12' ' ' LEU . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.622 ' CD1' HG23 ' A' ' 121' ' ' ILE . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD12 ' CD ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.723 ' CD ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.534 ' HB2' HG11 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 98' ' ' LEU . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 117' ' ' LEU . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.742 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.015 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.731 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 41' ' ' THR . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 37' ' ' VAL . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' PHE . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 27' ' ' LYS . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HB3' HD11 ' A' ' 68' ' ' LEU . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 68' ' ' LEU . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.797 ' O ' HD22 ' A' ' 49' ' ' LEU . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.676 ' SG ' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.924 HG13 ' HA3' ' A' ' 61' ' ' GLY . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 1.015 ' HA ' HG12 ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.85 ' O ' HG13 ' A' ' 63' ' ' VAL . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.924 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.776 HG22 ' CD ' ' A' ' 66' ' ' GLU . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 59' ' ' ARG . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.847 HD23 HG23 ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.776 ' CD ' HG22 ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 65' ' ' LEU . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' TYR . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 65' ' ' LEU . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.768 ' CD1' HG21 ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.783 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 107' ' ' THR . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.783 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.742 HD11 ' HG2' ' A' ' 8' ' ' MET . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.639 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.638 HG11 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 31' ' ' GLU . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 49' ' ' LEU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.053 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 16' ' ' VAL . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.588 HG13 ' HA3' ' A' ' 61' ' ' GLY . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.471 HH21 HG23 ' A' ' 16' ' ' VAL . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' CB ' HD22 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.569 HG22 ' OE1' ' A' ' 66' ' ' GLU . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 64' ' ' LEU . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.569 ' OE1' HG22 ' A' ' 62' ' ' ILE . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.885 HG13 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.714 ' CD1' HG23 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.885 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.56 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.795 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 105' ' ' LEU . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.795 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 8' ' ' MET . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.808 HD13 HG22 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.791 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG2' HD11 ' A' ' 68' ' ' LEU . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 68' ' ' LEU . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 1.077 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.077 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.888 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' ' 90' ' ' ARG . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.745 HG22 ' OE2' ' A' ' 66' ' ' GLU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 59' ' ' ARG . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.865 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.677 HD13 ' HB1' ' A' ' 46' ' ' ALA . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HG3' HD21 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 43' ' ' PHE . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.535 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.787 HG13 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.877 ' HA ' HG12 ' A' ' 86' ' ' VAL . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.019 HD13 ' CZ ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.877 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.696 ' CE1' HD21 ' A' ' 12' ' ' LEU . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.763 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.709 HD11 HG22 ' A' ' 58' ' ' ILE . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.019 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 104' ' ' LEU . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.984 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 108' ' ' GLU . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 107' ' ' THR . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.984 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 105' ' ' LEU . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 98' ' ' LEU . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.447 ' HA ' HG12 ' A' ' 11' ' ' VAL . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 12' ' ' LEU . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 53' ' ' LYS . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.693 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.804 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 68' ' ' LEU . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.918 ' O ' HD22 ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.995 ' HB3' HD12 ' A' ' 21' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.918 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.829 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.976 ' HA ' HD12 ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.976 HD12 ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 62' ' ' ILE . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.848 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.877 ' O ' HD22 ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.609 HG23 ' HG3' ' A' ' 66' ' ' GLU . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 60' ' ' ARG . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.676 HD23 HG13 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG3' HG23 ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 42' ' ' GLN . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.719 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.719 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.818 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.804 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.463 ' CE2' HD21 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.687 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.499 HD12 ' HD3' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 98' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.499 ' HD3' HD12 ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 108' ' ' GLU . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.818 HG21 ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.762 ' HG2' HG23 ' A' ' 107' ' ' THR . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.944 HD22 HD11 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.944 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 12' ' ' LEU . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.641 ' N ' HG13 ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.614 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.674 ' OE1' HD21 ' A' ' 68' ' ' LEU . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' ARG . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CE3' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.791 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.547 ' HB3' HD22 ' A' ' 49' ' ' LEU . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.689 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.439 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.759 HG22 ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.774 HG23 HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD23 HG23 ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CB ' HD11 ' A' ' 84' ' ' LEU . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.759 ' HG3' HG22 ' A' ' 62' ' ' ILE . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.876 HD22 ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' O ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.67 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.749 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 102' ' ' ARG . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.851 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.833 ' HD2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 108' ' ' GLU . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 101' ' ' VAL . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.661 ' HB2' HD13 ' A' ' 104' ' ' LEU . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.933 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.749 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m 59.83 90.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m 63.35 119.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.21 -97.79 1.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m 50.98 68.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -61.77 -68.62 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.88 -72.93 0.08 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.644 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -118.07 -46.41 2.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 111.055 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 tt0 -58.37 -15.8 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.1 -37.92 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.08 -45.73 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' CD2' HG13 ' A' ' 86' ' ' VAL . 8.4 mt -70.13 -43.03 71.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -56.21 -63.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.11 135.95 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 53' ' ' LYS . 2.5 pp -122.08 167.77 12.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -65.64 164.48 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' ASP . 2.5 m -123.54 134.55 53.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.934 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.8 p -40.06 -53.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.53 ' N ' HG13 ' A' ' 18' ' ' VAL . 6.3 tt0 -44.23 -44.43 7.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 2.2 m-20 -76.81 -58.46 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 21' ' ' LEU . 1.9 tm? -42.02 -43.43 3.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -62.64 -45.58 92.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 m-20 -53.75 -44.69 70.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.44 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 55.5 m-85 -75.51 -51.76 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.9 tt0 -49.52 -28.42 5.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -47.32 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -61.02 -49.09 78.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.536 ' CE1' HG11 ' A' ' 37' ' ' VAL . 30.6 t80 -54.81 -51.22 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.7 -59.23 5.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.85 -58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.0 mm-40 -47.19 -36.55 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.217 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -62.44 -59.25 5.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.239 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.47 -10.21 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.6 -38.9 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.59 -32.1 0.25 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 p 171.61 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG11 ' CE1' ' A' ' 28' ' ' PHE . 25.5 t -65.56 133.67 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -89.24 137.94 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HB2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -41.02 -38.49 1.0 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 p -45.28 -70.31 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -56.27 -36.41 68.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.656 ' HB3' HD21 ' A' ' 68' ' ' LEU . 35.1 tt0 -48.12 -62.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' LEU . 18.0 t80 -58.85 -36.47 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 4.6 mt-10 -59.0 -75.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.867 ' CE2' HD11 ' A' ' 49' ' ' LEU . 48.0 t80 -45.26 -46.83 12.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -52.91 -55.92 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.756 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 31.1 t-105 -59.35 -34.52 72.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 74.3 m -65.62 -41.91 92.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.867 HD11 ' CE2' ' A' ' 45' ' ' TYR . 44.4 mt -60.16 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 46' ' ' ALA . 4.6 m -41.27 -40.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HA ' HG12 ' A' ' 16' ' ' VAL . 30.3 t -38.42 157.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.074 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.47 -16.06 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.0 m-85 -86.58 143.61 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.5 m-20 -69.84 -46.07 66.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.79 -49.6 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -52.7 -50.6 63.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' HB3' ' A' ' 90' ' ' ARG . 47.7 mt -52.39 -41.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' O ' HG12 ' A' ' 63' ' ' VAL . 14.1 ttt180 -63.51 -55.91 20.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -75.4 1.04 14.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -97.77 -46.69 2.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.377 1.048 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.583 HG22 ' OE1' ' A' ' 66' ' ' GLU . 68.6 mt -58.09 -55.51 21.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -36.08 -62.99 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.626 HD23 HG22 ' A' ' 63' ' ' VAL . 1.1 mt -53.06 -50.45 64.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -54.59 -43.7 72.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' HG22 ' A' ' 62' ' ' ILE . 37.2 mt-10 -73.78 -15.07 61.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.23 -27.75 25.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 42' ' ' GLN . 2.0 mt -90.7 -16.48 28.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -54.06 -60.96 6.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -21.55 15.69 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.538 1.81 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -92.47 17.39 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.06 167.68 18.47 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.578 1.174 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.62 -75.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -150.05 -82.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.19 -15.57 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.078 . . . . 0.0 110.274 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.47 -33.38 72.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 74.1 mt-30 -75.28 -21.47 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.67 -39.78 80.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -15.51 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 17.6 m-30 -82.27 -72.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.805 HG13 ' CD1' ' A' ' 100' ' ' TYR . 62.5 t -38.46 -53.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -39.32 -41.67 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.756 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 15.1 m-30 -80.64 -50.14 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.657 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -41.39 -39.18 1.39 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.53 -46.67 53.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.503 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.1 t -53.64 -50.25 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.468 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -68.51 -41.09 85.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.5 m-20 -62.51 -49.81 73.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 10.1 t80 -51.12 -45.02 61.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.1 -32.87 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -93.37 23.65 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 35.9 pttt 52.96 21.16 1.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -83.75 55.27 3.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.896 ' CD1' HG23 ' A' ' 121' ' ' ILE . 8.9 m-85 -53.74 -51.16 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.96 -48.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 97' ' ' ALA . 8.5 mptt -77.88 -55.37 5.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.19 -62.43 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -53.49 -60.34 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.6 -29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.805 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.82 -38.2 11.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -72.83 -19.77 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -81.08 -56.3 4.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.67 -27.84 68.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.2 tm? -75.11 -34.37 61.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 0.805 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 108' ' ' GLU . 9.0 mt -71.74 -33.53 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -36.73 63.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.23 -23.75 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 105' ' ' LEU . 9.3 mm-40 -126.71 74.44 75.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.87 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.55 1.816 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.08 -30.5 71.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -50.74 111.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.7 m-20 -71.07 -53.21 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -39.8 -49.13 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -59.38 -45.46 91.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 112' ' ' ASN . 22.1 mttt -55.12 -61.35 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 117' ' ' LEU . 16.5 mm-40 -45.85 -63.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.813 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.3 OUTLIER -37.78 -59.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.0 tt0 -38.45 -47.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.2 mpt_? -71.43 -45.22 63.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.221 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 117' ' ' LEU . 49.3 mt -49.35 -61.41 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.896 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.4 mt -56.01 -37.09 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -55.61 -47.96 75.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -68.72 -42.81 77.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.68 -59.45 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.3 mtt -44.12 -56.07 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -48.22 74.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.2 mttp -52.78 -59.58 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.62 122.26 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -138.13 166.4 25.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -43.9 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.472 1.774 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.59 157.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.0 t -101.56 101.01 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.68 101.39 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.974 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -126.25 134.17 51.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.045 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.92 169.49 28.01 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.475 1.11 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -72.06 143.87 48.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.64 159.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.953 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.73 -109.72 2.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 120' ' ' LEU . 2.6 tpt -124.24 -58.95 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.17 -15.08 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.88 -41.32 8.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.06 -39.38 80.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD13 ' HE2' ' A' ' 89' ' ' TYR . 13.1 mt -75.42 -39.89 58.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.14 -63.06 1.36 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.67 121.42 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD13 ' HB3' ' A' ' 53' ' ' LYS . 75.5 mt -102.7 156.57 17.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -77.84 148.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -100.75 126.83 47.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.3 p -43.0 -51.73 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -38.43 -45.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.591 1.182 . . . . 0.0 110.317 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.13 -43.63 33.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.233 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LEU . 1.6 tm? -51.05 -35.97 37.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -76.66 -55.7 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -51.1 -35.04 33.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -84.17 -35.22 23.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 19.6 tt0 -69.68 -45.76 67.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -59.96 -40.19 88.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -60.63 -52.05 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CE1' HG11 ' A' ' 37' ' ' VAL . 61.1 t80 -51.54 -62.41 1.64 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -49.53 -52.95 26.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.7 t -52.96 -65.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -45.42 -30.34 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.95 -61.35 2.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.19 -10.35 53.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 -27.33 58.99 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.9 -41.58 0.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -179.41 131.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 28' ' ' PHE . 41.0 t -71.35 130.58 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.0 m -80.12 146.93 31.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 40' ' ' SER . 24.5 mttt -45.23 -52.62 9.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 40.3 t -38.58 -67.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 m -54.49 -48.0 72.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.758 ' HG2' HD11 ' A' ' 68' ' ' LEU . 18.9 tt0 -52.32 -68.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.207 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.0 t80 -53.22 -37.13 61.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.32 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -40.19 -38.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.23 -60.48 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.787 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 41.5 t-105 -52.25 -27.68 15.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 107.955 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -37.15 75.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 HD21 ' A' ' 21' ' ' LEU . 55.0 mt -64.49 -64.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.0 m -41.89 -49.58 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 46.3 mtp180 -56.15 -40.13 73.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.63 ' HA ' HG12 ' A' ' 16' ' ' VAL . 7.8 t -39.52 158.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -87.35 -5.78 58.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 20.7 m-85 -94.8 143.03 26.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 58' ' ' ILE . 10.5 m120 -76.43 -51.63 11.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -41.72 -34.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.07 . . . . 0.0 110.246 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -71.04 -48.24 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.711 HG21 ' HB2' ' A' ' 91' ' ' LEU . 81.9 mt -43.75 -64.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.1 ttm180 -36.68 -50.12 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' CB ' HD13 ' A' ' 49' ' ' LEU . 4.3 mpt_? -67.17 -58.3 5.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.613 1.195 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -42.02 -27.74 0.42 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 63' ' ' VAL . 78.4 mt -80.46 -59.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.57 0.806 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' ILE . 56.0 t -37.74 -57.73 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 3.1 mt -51.94 -56.09 16.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -56.47 -44.96 81.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 89.6 mt-10 -70.99 -8.91 56.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -89.6 -15.2 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -109.88 -12.72 14.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -49.99 -60.5 5.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -23.46 13.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -125.54 74.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.43 -89.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.02 168.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.989 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -52.88 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.4 1.062 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -38.74 -29.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LYS . 4.2 mt-10 -59.95 -51.32 70.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.231 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 57.2 mt-30 -60.23 -33.73 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -62.35 -38.79 90.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -29.06 38.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 83' ' ' TYR . 12.5 m-30 -63.03 -77.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.835 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.3 t -33.87 -55.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 86' ' ' VAL . 10.3 t80 -35.65 -40.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.787 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 10.1 m-30 -83.5 -54.18 5.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 65' ' ' LEU . 9.5 mp -38.93 -39.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -74.23 -48.83 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.369 1.043 . . . . 0.0 109.213 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 82' ' ' PHE . 13.5 t -54.04 -50.38 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.0 -51.1 54.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.138 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.486 ' CA ' ' HB2' ' A' ' 93' ' ' GLU . 16.6 m-20 -53.54 -54.29 39.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' HD13 ' A' ' 12' ' ' LEU . 22.3 t80 -47.74 -48.32 29.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.17 -30.7 71.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.711 ' HB2' HG21 ' A' ' 58' ' ' ILE . 4.2 tp -84.11 6.78 21.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 32.3 mttt 73.58 24.37 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 5.9 mm-40 -99.85 49.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 23.2 m-85 -51.68 -48.52 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -46.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -58.2 -42.2 85.65 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -48.42 -62.68 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.0 mt -50.8 -61.89 1.94 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -39.8 -29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.835 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -91.8 -39.83 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -68.23 -43.07 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.503 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 1.2 mmm180 -63.51 -52.13 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.01 -28.77 69.35 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.504 ' HB2' HG11 ' A' ' 81' ' ' VAL . 3.4 tm? -78.58 -48.41 15.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -63.42 -25.17 68.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -57.45 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.2 t -99.1 6.09 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.758 ' O ' HD23 ' A' ' 105' ' ' LEU . 8.2 mm-40 -135.47 65.73 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.57 2.49 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.545 1.813 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -65.74 -17.63 64.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -65.35 109.29 2.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.72 -56.01 5.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.7 mp0 -38.61 -51.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -60.08 -53.42 57.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -42.27 -56.63 2.86 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.85 -59.64 3.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.547 HD22 HD11 ' A' ' 121' ' ' ILE . 3.3 mt -42.02 -62.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 117' ' ' LEU . 10.5 tm-20 -34.37 -57.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.23 -46.62 83.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.228 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 8' ' ' MET . 85.7 mt -50.38 -59.87 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.715 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.3 mt -59.4 -37.81 71.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.72 -56.16 9.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.37 -29.04 62.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.715 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -61.79 -164.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 1.6 mtt 74.81 -45.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -33.63 14.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -94.95 51.84 1.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.9 p -145.27 -47.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.966 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.11 152.11 6.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.12 . . . . 0.0 111.032 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.37 160.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.28 109.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.957 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -155.3 77.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 0.807 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.03 155.68 6.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.007 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.78 148.22 5.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -56.46 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 p -79.04 145.68 33.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.46 -78.56 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.402 ' HE1' HG23 ' A' ' 86' ' ' VAL . 8.3 tpt -113.02 -40.6 3.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.25 -14.86 12.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 -48.35 7.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG21 HE21 ' A' ' 113' ' ' GLN . 20.7 t -52.53 -50.44 39.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.139 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD21 ' CE2' ' A' ' 89' ' ' TYR . 4.8 tp -63.92 -44.74 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -79.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 145.1 8.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.827 HD13 ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -109.24 -146.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -114.68 145.46 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -91.57 130.18 37.43 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.588 1.18 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 19' ' ' GLU . 7.9 p -50.37 -52.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -39.87 -41.94 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 21' ' ' LEU . 3.1 m-20 -79.72 -52.86 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' ASP . 2.8 tm? -39.18 -43.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -66.23 -55.51 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -41.14 -47.04 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 59.1 m-85 -74.17 -39.85 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -52.59 -55.22 23.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -49.85 -59.49 3.8 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -43.57 -49.95 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 1.031 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -63.29 -60.39 3.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 58.4 mt-30 -43.5 -61.45 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.46 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' OE1' HG21 ' A' ' 41' ' ' THR . 48.6 mt-10 -45.65 -25.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 8.5 tt0 -65.97 -62.52 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -10.34 57.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.6 -27.29 61.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.74 -37.19 0.96 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 64.1 p 179.93 132.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.031 HG11 ' CD1' ' A' ' 28' ' ' PHE . 54.1 t -70.86 134.33 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 m -68.83 153.52 43.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.439 1.087 . . . . 0.0 110.017 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.12 -59.04 4.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -68.47 0.17 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.568 1.167 . . . . 0.0 109.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' LYS . 30.4 m -44.98 -48.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.409 1.068 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HG2' HD11 ' A' ' 68' ' ' LEU . 31.6 tt0 -55.11 -66.38 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.9 t80 -52.39 -34.08 46.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 24.3 mt-10 -68.19 -78.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -41.33 -45.08 2.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -57.4 -56.41 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.8 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.1 t-105 -53.16 -30.09 35.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.422 ' O ' HG21 ' A' ' 16' ' ' VAL . 0.6 OUTLIER -69.42 -34.7 74.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 60' ' ' ARG . 51.4 mt -67.07 -63.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 7.0 m -46.37 -26.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 58.8 mtp180 -75.19 -39.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HA ' HG12 ' A' ' 16' ' ' VAL . 21.2 t -46.95 174.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.376 1.047 . . . . 0.0 110.032 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.827 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -94.11 -25.96 16.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.8 137.43 58.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -75.21 -40.57 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.73 -41.75 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.81 -43.98 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.867 HG22 HD12 ' A' ' 91' ' ' LEU . 90.4 mt -51.87 -65.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -37.93 -45.58 0.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -60.12 -63.28 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -43.49 -36.96 3.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.849 HG22 ' CD ' ' A' ' 66' ' ' GLU . 19.3 mt -67.67 -42.93 86.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ARG . 24.1 t -55.89 -48.99 77.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.5 mt -60.38 -60.94 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.644 ' CB ' HD11 ' A' ' 84' ' ' LEU . 4.2 mt -53.84 -33.73 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.849 ' CD ' HG22 ' A' ' 62' ' ' ILE . 62.2 mt-10 -71.36 -8.33 53.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -102.08 -24.36 13.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 43' ' ' PHE . 3.2 mt -88.92 -12.06 42.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -53.87 -59.99 8.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -19.02 18.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -98.24 25.95 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.09 166.2 21.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.7 t -90.16 -57.66 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.13 -56.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -77.83 -9.33 58.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.3 mt-10 -87.61 -33.12 18.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.51 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 7.1 mt-30 -60.48 -33.01 71.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.27 70.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.52 -15.42 42.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' HB3' HD22 ' A' ' 69' ' ' LEU . 19.1 m-30 -83.52 -72.1 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.854 HG13 ' CD1' ' A' ' 100' ' ' TYR . 82.6 t -36.28 -57.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -40.5 -55.46 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.8 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.4 m-30 -64.59 -32.4 74.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 65' ' ' LEU . 7.4 mp -66.27 -33.14 75.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -82.66 -57.96 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.4 p -48.36 -40.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.462 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.78 -47.73 31.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.9 m-80 -57.65 -46.74 83.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.923 ' CE2' HD21 ' A' ' 12' ' ' LEU . 6.8 t80 -50.53 -55.76 14.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.711 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -22.41 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.867 HD12 HG22 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -90.78 14.74 12.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' TYR . 10.9 mmtt 70.43 7.09 6.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 11.0 mm-40 -91.92 89.11 6.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.62 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 1.7 m-85 -81.78 -46.75 13.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -44.16 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.244 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.2 mmtm -46.77 -41.71 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -50.61 -71.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.229 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 3.4 mt -46.23 -62.27 1.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' LEU . 20.0 mttt -36.83 -35.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.854 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.85 -41.03 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 111.017 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -65.16 -53.16 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 4.4 mmm180 -57.51 -31.0 65.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.184 . . . . 0.0 110.259 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.87 -0.54 87.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.102 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' A' ' 108' ' ' GLU . 1.5 tm? -109.32 -47.0 3.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 0.821 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -51.8 -31.46 27.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -63.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.776 HG23 ' HG2' ' A' ' 108' ' ' GLU . 12.9 t -81.99 -5.71 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.379 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.776 ' HG2' HG23 ' A' ' 107' ' ' THR . 5.1 mm-40 -139.94 63.26 24.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.79 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -59.45 -20.9 58.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -60.03 114.42 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -75.39 -42.74 53.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.535 HE21 HG21 ' A' ' 11' ' ' VAL . 58.6 mt-30 -50.23 -39.23 43.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -77.1 -48.45 17.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' HD11 ' A' ' 105' ' ' LEU . 2.3 mttt -45.48 -73.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -40.46 -59.74 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 120' ' ' LEU . 20.6 tp -40.54 -66.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' LEU . 16.6 tt0 -37.68 -48.96 1.1 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -69.41 -42.52 74.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 117' ' ' LEU . 12.8 mt -50.57 -49.5 56.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 89' ' ' TYR . 3.3 mt -60.03 -45.08 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.12 -32.07 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.378 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' ALA . 10.6 mttt -81.02 -52.46 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.467 ' HB2' ' HE1' ' A' ' 89' ' ' TYR . . . -40.48 -62.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.47 ' CE ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -42.32 -60.75 1.38 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.24 -46.39 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.08 81.09 2.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.45 167.99 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -168.06 -158.0 11.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 111.0 3.22 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.9 m -148.71 167.06 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -93.53 -58.04 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m 55.24 83.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.069 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.24 130.52 56.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.998 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 167.13 37.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.46 -56.57 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 0.8 . . . . 0.0 109.953 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -63.21 146.49 53.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.59 -101.06 0.15 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.894 ' SD ' HD13 ' A' ' 12' ' ' LEU . 9.6 tpp -114.23 -42.61 3.32 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.8 -13.02 3.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.3 -51.59 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 8' ' ' MET . 3.9 p -55.35 -37.56 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.894 HD13 ' SD ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -75.15 -2.05 25.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -110.54 -67.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.77 143.05 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.6 pp -121.64 -174.42 2.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 17' ' ' SER . 0.4 OUTLIER -99.36 -177.14 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.714 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.6 m -133.45 131.95 40.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.9 t -44.84 -53.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.8 -29.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.332 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.86 -62.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD23 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -43.58 -53.61 5.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.429 1.08 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -57.46 -41.91 81.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -51.3 -29.01 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' GLU . 3.7 m-30 -97.82 -42.22 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 19.5 tt0 -37.26 -57.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.264 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -50.96 9.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -46.74 -64.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.895 ' CD1' HG11 ' A' ' 37' ' ' VAL . 43.2 t80 -43.45 -62.74 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -45.6 -68.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t -47.17 -60.91 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.03 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 4.3 mm-40 -47.47 -32.77 5.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -63.58 -60.07 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.49 -9.33 48.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -75.08 -34.83 61.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.62 -38.49 0.35 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.34 124.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.05 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 28' ' ' PHE . 61.0 t -59.81 127.98 20.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -68.81 153.88 43.0 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 1.086 . . . . 0.0 110.031 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -51.09 -56.39 12.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.39 -65.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.97 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 m -51.04 -44.95 61.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.446 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG2' HD11 ' A' ' 68' ' ' LEU . 16.7 tt0 -56.65 -65.99 0.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB2' HD13 ' A' ' 68' ' ' LEU . 7.2 t80 -57.61 -37.12 72.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -62.72 -74.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 32.5 t80 -46.53 -40.45 12.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -65.21 -45.68 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.826 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 32.2 t-105 -62.61 -29.55 70.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.039 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 83.4 m -68.2 -39.4 82.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.355 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 21' ' ' LEU . 61.1 mt -62.87 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 6.5 m -45.08 -31.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 20.3 mtp180 -81.53 -35.67 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.648 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.6 t -39.24 158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.825 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.29 -39.67 68.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.03 151.37 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.602 ' HA ' HD12 ' A' ' 58' ' ' ILE . 13.8 p30 -89.8 -41.9 11.59 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' HB3' HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -79.83 -42.0 25.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.406 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 90' ' ' ARG . 97.9 mt -43.49 -47.21 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.397 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -55.96 -48.03 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 49' ' ' LEU . 10.8 mtt85 -62.87 -12.49 25.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.15 -43.09 4.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG22 ' OE2' ' A' ' 66' ' ' GLU . 58.4 mt -57.55 -58.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -34.13 -63.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.863 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.06 -51.42 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -53.19 -47.07 69.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' OE2' HG22 ' A' ' 62' ' ' ILE . 33.8 mt-10 -70.74 -16.1 62.74 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -85.2 -36.38 21.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 43' ' ' PHE . 9.2 mt -81.67 -24.65 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -40.43 -63.0 0.8 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.593 1.183 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.5 Cg_endo -74.92 -27.5 10.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.463 1.77 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.44 44.51 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.63 162.46 30.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.95 -172.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.973 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -82.94 -52.71 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.03 -13.09 31.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.58 -40.08 12.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.7 mt-30 -54.64 -29.1 51.37 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -64.68 -34.18 77.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -77.63 -27.64 51.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.0 m-30 -72.79 -72.01 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.764 HG13 ' CD1' ' A' ' 100' ' ' TYR . 57.8 t -38.02 -52.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 7.9 t80 -39.72 -39.37 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.826 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 13.3 m-30 -84.35 -51.14 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.676 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 7.0 mp -39.71 -38.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.56 28.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.538 HG22 ' CD1' ' A' ' 12' ' ' LEU . 4.9 t -52.89 -47.39 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.85 -47.83 37.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 16.9 m-20 -56.88 -47.36 80.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 12' ' ' LEU . 10.4 t80 -53.47 -47.67 69.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.656 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.02 -31.31 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.04 11.27 14.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 12.5 mttt 66.35 13.66 9.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -84.22 65.8 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 125' ' ' MET . 5.2 m-30 -57.95 -52.34 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -38.8 -66.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -59.21 -52.81 64.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -42.44 -60.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 118' ' ' GLU . 2.3 mm? -54.83 -60.58 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 tptt -39.27 -30.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.12 -39.49 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.072 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.2 t -66.92 -38.07 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.513 ' HD3' HD12 ' A' ' 98' ' ' LEU . 2.1 mmm180 -70.4 -52.92 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.47 -14.14 47.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.2 tm? -96.48 -28.37 14.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 108' ' ' GLU . 11.1 mt -75.79 -37.0 59.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' A' ' 107' ' ' THR . 6.8 pt20 -50.04 -44.82 51.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.966 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.0 t -92.23 -20.18 21.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.507 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.966 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.8 mm-40 -131.68 66.27 77.71 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.99 -30.93 6.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.92 -18.61 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.87 112.53 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.221 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -67.48 -52.26 41.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.9 mt-30 -41.69 -47.3 3.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -69.82 -48.69 58.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 22.0 mttt -39.91 -66.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' O ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -50.34 -55.15 16.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.215 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -36.16 -63.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.4 OUTLIER -39.55 -42.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' GLU . 14.8 mtt180 -77.33 -54.22 6.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 116' ' ' GLU . 0.2 OUTLIER -36.8 -48.84 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.946 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -72.07 -46.6 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 119' ' ' ARG . 9.9 t0 -49.82 -28.5 6.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -88.58 -43.5 11.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.46 -29.91 69.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.546 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 2.0 mmt -54.51 -53.1 58.95 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 59.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -138.08 66.78 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.59 162.93 16.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -86.93 -125.41 1.93 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 111.022 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.21 27.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.01 -54.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 110.107 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 130.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -117.85 132.22 56.46 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.97 167.92 27.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 90.88 0.79 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.145 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -162.78 161.28 26.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -54.64 128.59 33.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.947 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.47 -79.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.745 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.4 tpt -126.65 -58.81 1.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.62 -14.8 15.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.44 -43.35 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.71 -47.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.943 HD21 ' CE1' ' A' ' 89' ' ' TYR . 8.8 tp -68.28 -30.09 69.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -72.48 -59.52 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -38.87 156.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -129.78 174.69 9.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.872 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.5 OUTLIER -102.42 144.8 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -88.51 125.15 34.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.956 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 19' ' ' GLU . 5.1 p -41.98 -51.07 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -46.1 -54.17 9.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.82 -50.2 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.2 tm? -52.47 -41.03 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -70.29 -55.72 8.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -49.32 -23.71 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.62 1.2 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 3.6 m-85 -94.32 -53.29 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 18.2 tt0 -47.91 -28.21 2.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -46.14 57.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 ttmt -58.74 -54.6 45.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.73 ' CD1' HG11 ' A' ' 37' ' ' VAL . 39.8 t80 -43.46 -59.25 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 62.2 mt-30 -49.2 -55.31 12.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.86 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' OE1' HG21 ' A' ' 41' ' ' THR . 5.3 mp0 -44.05 -28.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 14.9 tt0 -64.31 -60.88 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.66 -9.32 53.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.47 -31.48 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.47 -27.02 0.68 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m 168.62 129.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 28' ' ' PHE . 46.5 t -65.18 130.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.2 m -65.99 152.44 44.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -55.89 -36.43 67.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.421 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -55.92 -71.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.967 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.512 HG21 ' OE1' ' A' ' 31' ' ' GLU . 93.0 m -46.45 -49.15 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 68' ' ' LEU . 44.4 tt0 -50.22 -60.65 2.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.618 ' HB2' HD13 ' A' ' 68' ' ' LEU . 9.0 t80 -57.31 -41.01 79.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.55 -69.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 28.4 t80 -46.13 -41.48 12.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 64' ' ' LEU . . . -63.43 -51.88 63.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 36.9 t-105 -57.8 -34.27 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 82.1 m -66.93 -38.11 85.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 57' ' ' ASP . 24.9 mt -64.27 -65.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 5.9 m -43.11 -36.92 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 55.8 mtp180 -67.72 -41.73 83.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.872 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.2 t -38.82 158.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -84.29 -11.83 55.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 7.7 m-85 -88.22 132.61 34.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.097 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.698 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.5 p30 -70.27 -39.89 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -50.99 -41.09 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' CB ' HD22 ' A' ' 49' ' ' LEU . 45.9 m-20 -69.23 -37.92 78.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 55' ' ' ASN . 96.5 mt -57.04 -61.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 38.0 ttt-85 -40.53 -36.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.854 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.17 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.78 -26.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.917 HG23 ' CD2' ' A' ' 84' ' ' LEU . 34.3 mt -67.81 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.497 0.763 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 60' ' ' ARG . 21.8 m -47.68 -38.23 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD23 HG23 ' A' ' 63' ' ' VAL . 5.2 mt -65.48 -64.54 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 80' ' ' TYR . 34.5 mt -58.0 -20.06 35.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 1.006 ' HG3' HD21 ' A' ' 84' ' ' LEU . 33.6 mt-10 -78.43 -28.07 46.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -89.25 -21.6 23.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 43' ' ' PHE . 82.2 mt -78.43 -27.15 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -41.8 -63.24 0.9 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.565 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.97 -22.26 15.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -99.21 51.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.93 154.96 25.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 m -64.57 -163.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 109.925 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 -45.17 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.3 pt-20 -73.28 -4.74 35.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.56 -41.86 8.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.661 ' O ' HG23 ' A' ' 81' ' ' VAL . 71.5 mt-30 -54.67 -21.29 10.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 110.248 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -66.61 -43.25 85.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -27.38 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.767 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -72.44 -69.21 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 21.1 t -42.92 -58.34 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.5 t80 -39.68 -42.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 12.5 m-30 -81.65 -49.9 9.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.134 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.2 mt -42.64 -40.0 2.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -72.02 -44.72 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 12' ' ' LEU . 3.0 t -55.03 -47.5 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.97 -47.78 36.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.3 m-80 -57.7 -45.9 85.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.808 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.943 ' CE1' HD21 ' A' ' 12' ' ' LEU . 2.4 t80 -52.78 -47.76 67.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.67 -36.09 56.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 2.7 mm? -86.31 17.46 3.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.085 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.529 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.1 pttp 54.0 19.97 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.49 45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.757 ' CD1' HG23 ' A' ' 121' ' ' ILE . 13.0 m-85 -39.85 -45.89 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' TYR . 30.9 mt-10 -37.68 -68.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm -63.23 -47.02 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.572 ' HB3' ' HA ' ' A' ' 94' ' ' TYR . . . -46.75 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.683 HD12 ' HE2' ' A' ' 125' ' ' MET . 1.9 mt -44.56 -61.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.3 tttp -38.27 -36.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.134 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.18 -40.34 15.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.635 1.209 . . . . 0.0 110.991 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -66.01 -55.25 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.572 ' N ' HG12 ' A' ' 101' ' ' VAL . 1.1 mmm180 -57.23 -37.45 72.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.44 7.89 66.82 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD11 ' OE1' ' A' ' 108' ' ' GLU . 2.2 tm? -113.27 -35.52 5.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.977 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 2.5 mm? -56.06 -27.93 55.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 102' ' ' ARG . 0.1 OUTLIER -52.24 -61.73 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.251 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.598 HG23 ' HG3' ' A' ' 108' ' ' GLU . 4.3 t -79.3 3.02 19.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.373 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.64 ' OE1' HD11 ' A' ' 104' ' ' LEU . 42.1 mt-10 -152.54 64.72 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -47.0 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.414 1.744 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -69.31 -21.02 63.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 29.1 t-20 -61.89 122.72 16.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -78.1 -46.99 19.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.46 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 13.3 mt-30 -42.64 -32.24 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.226 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.977 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -86.01 -50.63 6.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' N ' HD11 ' A' ' 105' ' ' LEU . 14.6 mttt -49.31 -58.31 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -45.83 -62.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.434 1.083 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.932 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -41.55 -60.35 1.34 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -41.62 -55.99 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -63.45 -37.05 85.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 110.268 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.745 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.6 mt -59.25 -71.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.932 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -43.23 -45.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.41 -44.36 11.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.428 1.08 . . . . 0.0 109.373 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.84 -44.41 27.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -44.16 -41.31 5.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.683 ' HE2' HD12 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -62.7 -43.14 99.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.56 1.162 . . . . 0.0 110.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.14 29.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -121.35 -50.53 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -138.42 135.17 34.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.4 -146.88 11.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -56.47 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.509 1.794 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 p -115.72 114.47 24.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -59.95 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.626 1.204 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m 48.82 96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -160.87 134.47 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.08 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.33 125.96 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.94 168.34 18.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 110.066 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 p -119.79 -69.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.049 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.68 -133.03 11.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.715 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -128.06 -55.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.9 tt0 -58.63 -16.13 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 -36.87 10.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.18 -51.05 70.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.606 ' CD2' HG13 ' A' ' 86' ' ' VAL . 9.8 mt -64.67 -40.62 95.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 1.186 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -60.37 -76.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.29 134.15 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.854 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.9 pp -116.56 153.97 31.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.825 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -55.96 -179.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 16' ' ' VAL . 2.1 m -134.95 131.68 37.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 19' ' ' GLU . 9.3 p -40.4 -52.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' N ' HG13 ' A' ' 18' ' ' VAL . 8.7 tt0 -44.22 -54.23 5.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.39 -52.11 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 16' ' ' VAL . 1.5 tm? -42.51 -40.39 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -68.79 -54.34 16.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -44.97 -29.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 4.4 m-85 -93.48 -61.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.6 tt0 -41.46 -28.07 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.5 OUTLIER -79.52 -58.75 3.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.88 -51.82 9.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 32' ' ' GLN . 26.5 t80 -56.46 -60.16 3.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -54.12 -44.29 71.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.745 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -53.51 -40.72 65.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.621 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 75.8 mm-40 -86.52 -23.45 25.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.6 tt0 -74.09 -60.77 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.16 -16.83 63.93 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.05 -27.41 69.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 133.35 -10.36 5.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.1 m 165.9 140.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 0.813 . . . . 0.0 109.934 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.621 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -131.2 153.49 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -78.12 159.09 28.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -56.03 -42.43 76.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.366 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -36.2 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 28' ' ' PHE . 36.3 m -41.69 -48.82 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 28' ' ' PHE . 46.3 tt0 -49.87 -62.54 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.1 t80 -52.06 -46.02 64.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 6.8 mt-10 -50.16 -69.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.851 ' CZ ' HD11 ' A' ' 49' ' ' LEU . 15.8 t80 -46.69 -42.59 16.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.56 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -56.75 -55.83 29.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.789 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 37.5 t-105 -57.82 -33.06 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.8 m -69.52 -32.49 71.36 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.105 . . . . 0.0 108.292 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 45' ' ' TYR . 29.4 mt -69.78 -60.82 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 8.5 m -49.82 -35.74 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HD2' ' CE2' ' A' ' 47' ' ' TRP . 29.8 mtp180 -71.51 -24.24 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.825 ' HA ' HG12 ' A' ' 16' ' ' VAL . 9.0 t -41.84 163.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.854 ' CB ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -86.48 -12.45 48.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 10.6 m-85 -97.34 160.98 14.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 58' ' ' ILE . 72.2 m-80 -97.45 -31.35 12.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.66 -14.63 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.32 -21.27 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.722 HG21 HD13 ' A' ' 91' ' ' LEU . 13.9 mt -60.05 -56.97 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HA ' HD12 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -48.6 -42.14 32.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.236 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.848 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -53.77 -26.93 26.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.69 -15.17 57.14 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 84' ' ' LEU . 53.6 mt -74.37 -51.8 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG23 HD23 ' A' ' 64' ' ' LEU . 16.6 m -48.3 -56.68 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD23 HG23 ' A' ' 63' ' ' VAL . 7.3 mt -52.92 -68.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 80' ' ' TYR . 19.9 mt -48.85 -25.37 1.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.992 ' HG3' HD21 ' A' ' 84' ' ' LEU . 40.9 mt-10 -80.86 -33.07 34.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -88.96 -17.93 28.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 43' ' ' PHE . 24.7 mt -82.28 -21.11 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER -45.89 -62.55 1.74 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.555 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.99 -28.85 8.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -88.14 50.32 1.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -169.16 162.53 36.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.5 m -69.34 -176.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.951 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' O ' ' NH1' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -73.42 -45.71 52.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -16.36 60.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.75 -26.05 32.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.583 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 62.1 mt-30 -71.58 -18.66 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.619 1.2 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -68.55 -40.03 80.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.246 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -34.86 76.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.819 ' HA ' HD22 ' A' ' 65' ' ' LEU . 19.0 m-30 -67.24 -65.58 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.798 HG13 ' CD1' ' A' ' 100' ' ' TYR . 56.4 t -45.25 -58.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.71 ' O ' HG23 ' A' ' 86' ' ' VAL . 13.4 t80 -37.25 -41.93 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.789 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.3 m-30 -82.62 -52.39 6.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.07 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -39.14 -38.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -74.67 -50.54 17.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 82' ' ' PHE . 53.3 t -50.65 -46.46 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.25 -53.03 14.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 13.8 m-20 -53.47 -49.46 67.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 0.728 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -49.71 -48.11 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.434 1.084 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.6 -34.42 58.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.722 HD13 HG21 ' A' ' 58' ' ' ILE . 4.7 mp -86.36 12.11 10.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.404 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 14.7 mttt 68.46 8.31 6.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -75.32 56.45 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.728 ' CD1' HG23 ' A' ' 121' ' ' ILE . 10.5 m-85 -52.32 -44.69 65.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.54 -75.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.26 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -51.56 -47.92 63.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -46.31 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.409 1.068 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -46.2 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.76 -30.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.07 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -94.5 -35.41 12.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 111.069 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.491 ' CG2' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -73.47 -23.92 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -74.07 -53.02 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.1 -38.16 95.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.672 HD13 ' O ' ' A' ' 104' ' ' LEU . 3.3 tm? -66.69 -27.82 67.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 0.783 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.441 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 12.6 mt -80.43 -28.56 37.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -49.48 77.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.773 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.1 t -86.66 -16.26 37.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.773 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -134.77 65.48 66.47 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.25 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.89 5.81 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -16.72 61.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -67.02 117.19 8.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 115' ' ' LYS . 32.5 m-20 -72.67 -51.99 17.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.077 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -40.19 -46.71 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -66.7 -42.82 85.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 112' ' ' ASN . 11.0 mttt -54.2 -55.41 28.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -48.5 -61.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 120' ' ' LEU . 9.2 tp -42.01 -60.65 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' HG2' HD11 ' A' ' 98' ' ' LEU . 1.5 tm-20 -37.89 -57.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.36 -44.17 92.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.715 HD11 ' HG2' ' A' ' 8' ' ' MET . 72.8 mt -46.97 -62.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.728 HG23 ' CD1' ' A' ' 94' ' ' TYR . 3.5 mt -53.43 -46.81 59.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 109.246 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -46.49 -46.84 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.576 1.173 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -70.33 -38.3 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -52.18 -62.28 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -43.45 -50.92 6.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -48.21 82.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -53.62 -69.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.8 t 56.59 91.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -76.53 170.25 54.94 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 154.51 42.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.92 85.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.9 p -42.77 138.29 2.0 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -169.59 153.66 5.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.791 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.45 110.92 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.19 152.97 7.32 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.566 1.166 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -134.13 160.0 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 0.826 . . . . 0.0 109.939 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -158.81 -63.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.13 -179.46 16.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' HG12 ' A' ' 11' ' ' VAL . 10.5 tpt -106.65 -29.07 9.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' HG3' HD21 ' A' ' 120' ' ' LEU . 1.3 tt0 -82.43 -18.93 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.12 -43.17 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 12' ' ' LEU . 14.8 p -61.68 -52.24 63.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.515 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.0 tp -63.95 -11.87 32.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.35 -57.44 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 160.63 4.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 110.215 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.783 HD13 ' HB3' ' A' ' 53' ' ' LYS . 11.0 mt -127.44 166.45 17.89 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.15 147.59 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -99.52 136.65 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.89 -47.57 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -42.21 30.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.9 -57.28 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.5 tm? -40.78 -49.2 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -54.06 44.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -40.84 -45.81 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 35.6 m-85 -77.15 -44.09 31.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 27.9 tt0 -42.53 -59.14 1.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.064 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -41.32 -63.69 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -42.81 -55.79 3.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.885 ' CD1' HG11 ' A' ' 37' ' ' VAL . 37.3 t80 -53.44 -55.67 23.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 111.057 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' GLN . 31.6 mt-30 -54.32 -70.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.9 t -43.65 -54.66 4.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 7.7 mm-40 -52.7 -33.17 46.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 29' ' ' GLN . 15.7 tt0 -63.61 -59.32 4.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.4 -11.23 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.84 -31.67 66.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.92 -26.1 0.92 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m 168.7 129.77 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.593 0.82 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.885 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.6 t -68.2 134.87 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.1 m -78.79 150.49 32.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -49.57 -55.67 12.68 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 m -39.78 -53.08 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 m -68.03 -41.74 81.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.405 ' HG2' HD11 ' A' ' 68' ' ' LEU . 21.9 tt0 -57.76 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.52 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.7 t80 -45.19 -40.64 7.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 64.5 mt-10 -59.45 -76.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.853 ' O ' HD22 ' A' ' 49' ' ' LEU . 82.3 t80 -48.61 -38.97 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.544 ' HB1' ' HB2' ' A' ' 64' ' ' LEU . . . -65.43 -28.65 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 19.9 t-105 -79.49 -21.72 44.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 108.001 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 78.0 m -67.24 -55.78 12.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.853 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -43.88 -67.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 47' ' ' TRP . 4.3 m -40.95 -49.21 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD2' ' NE1' ' A' ' 47' ' ' TRP . 28.4 mtp180 -58.23 -37.75 75.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.546 ' HA ' HG12 ' A' ' 16' ' ' VAL . 1.9 t -44.03 167.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.783 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -91.53 -20.5 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -76.97 -177.48 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -118.47 -44.5 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -46.01 -32.0 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' ARG . 77.0 m-20 -79.74 -49.09 12.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.747 HG21 ' CD1' ' A' ' 91' ' ' LEU . 64.6 mt -37.29 -47.66 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 27.1 mmm-85 -44.07 -48.36 8.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HA ' HG22 ' A' ' 63' ' ' VAL . 1.6 mpt_? -55.09 -66.59 0.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.725 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -38.73 -29.21 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.61 HG22 ' OE1' ' A' ' 66' ' ' GLU . 71.7 mt -77.58 -69.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 60' ' ' ARG . 14.9 m -43.81 -50.57 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 25.4 mt -57.27 -69.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 61' ' ' GLY . 22.8 mt -50.2 -32.68 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.61 ' OE1' HG22 ' A' ' 62' ' ' ILE . 36.4 mt-10 -66.52 -23.78 66.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 64' ' ' LEU . 4.7 mt-10 -84.63 -31.64 24.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 43' ' ' PHE . 8.8 mt -78.95 -21.5 47.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.6 OUTLIER -48.6 -62.78 1.98 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -97.47 29.75 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.31 -141.2 11.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.117 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.48 -65.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 0.776 . . . . 0.0 109.947 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -164.98 -76.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.72 -8.33 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.22 -52.9 16.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 63.5 mt-30 -50.68 -36.02 33.78 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.96 -30.21 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -15.96 36.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -85.75 -69.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.788 HG13 ' CD1' ' A' ' 100' ' ' TYR . 64.2 t -37.82 -52.96 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.6 t80 -40.47 -44.31 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.79 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.33 -50.48 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.2 mp -41.59 -41.36 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.02 -56.14 6.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.619 HG23 HD11 ' A' ' 117' ' ' LEU . 2.5 t -40.65 -52.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -64.35 -49.56 64.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.126 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 9.2 m-80 -53.85 -51.33 63.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.6 t80 -48.49 -49.6 35.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.21 -32.24 35.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 110.264 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.747 ' CD1' HG21 ' A' ' 58' ' ' ILE . 7.0 mp -88.94 19.18 4.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 1.4 pttt 54.78 18.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -84.06 45.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 9.5 m-85 -38.46 -52.3 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' TYR . 37.4 mt-10 -37.75 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -54.2 -52.12 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.03 -61.04 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 HG21 ' A' ' 121' ' ' ILE . 1.4 mm? -56.0 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.9 OUTLIER -39.32 -29.76 0.05 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.788 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -94.91 -38.27 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -73.02 -15.84 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 98' ' ' LEU . 3.2 mmm180 -86.11 -57.22 3.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.576 1.172 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.88 -26.07 64.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' ' 81' ' ' VAL . 2.9 tm? -75.33 -41.66 56.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 108' ' ' GLU . 6.8 mt -69.57 -28.54 66.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.078 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -54.6 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 108' ' ' GLU . 4.7 t -90.97 -3.72 57.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.658 ' HG2' HG23 ' A' ' 107' ' ' THR . 36.8 mm-40 -141.14 66.79 25.59 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -32.86 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.464 1.77 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -70.11 -19.3 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.605 1.191 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -60.34 113.92 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -77.94 -37.56 47.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 1.9 mt-30 -54.73 -35.21 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.61 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -77.12 -40.76 44.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -50.02 -59.97 3.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -48.82 -57.68 6.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.058 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -41.15 -62.7 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.436 ' OE2' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -37.97 -56.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -49.41 70.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 12.0 mt -44.77 -48.0 10.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.058 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -71.12 -34.2 54.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.33 -35.13 74.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -78.57 -43.61 26.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -51.7 -55.56 18.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.564 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -47.17 -51.1 19.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 110.972 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -52.23 -54.78 26.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.93 147.59 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.058 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.92 -176.51 20.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 170.02 21.33 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.8 t -155.67 113.22 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.1 m 73.06 -67.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.143 . . . . 0.0 110.956 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m 56.45 165.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -129.55 98.04 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.45 -93.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -121.15 109.77 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 0.719 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.7 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . . . 157.47 -158.86 29.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.734 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.1 tpt -102.36 -58.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.2 tt0 -57.39 -16.23 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.61 -39.2 10.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' GLY . 2.6 t -63.44 -44.53 98.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.743 HD21 HG22 ' A' ' 86' ' ' VAL . 11.1 mt -72.15 -41.63 66.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 0.7 OUTLIER -53.01 -58.66 6.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.604 1.19 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 15' ' ' LEU . 1.3 tt0 -71.75 140.81 49.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.16 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -122.63 -178.9 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.36 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -82.93 172.15 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 16' ' ' VAL . 11.6 m -132.35 147.78 52.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 50.8 t -48.72 -37.63 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.369 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.75 -36.99 85.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -81.28 -45.81 15.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -63.53 -58.23 7.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -54.08 -41.8 68.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -45.74 -58.83 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 19.4 m-30 -75.75 -46.91 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.95 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 20.7 tt0 -37.39 -52.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -46.34 -70.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -44.78 -61.17 1.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.881 ' CD1' HG11 ' A' ' 37' ' ' VAL . 62.1 t80 -38.51 -57.92 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -50.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -54.89 6.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 1.5 mm-40 -54.24 -31.53 53.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -63.76 -59.91 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.36 -11.09 49.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.35 -27.3 62.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.74 -29.84 1.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 p 177.29 127.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.881 HG11 ' CD1' ' A' ' 28' ' ' PHE . 52.3 t -64.67 137.13 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -62.82 149.8 43.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.133 . . . . 0.0 109.928 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.413 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -44.77 -61.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.0 m -44.61 -32.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.554 ' HB3' HD21 ' A' ' 68' ' ' LEU . 37.6 tt0 -75.08 -53.27 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 t80 -55.93 -69.38 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 110.96 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.3 mp0 -37.35 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 24.8 t80 -34.3 -52.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -56.53 -63.26 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.798 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 31.4 t-105 -51.04 -28.86 11.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -68.88 -38.67 79.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 108.292 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -62.91 -63.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 10.1 m -47.11 -27.83 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' SER . 19.8 mtp180 -77.6 -35.69 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.689 ' HA ' HG12 ' A' ' 16' ' ' VAL . 3.9 t -43.73 166.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.74 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -86.58 -20.75 27.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -80.1 147.56 31.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 58' ' ' ILE . 73.4 m-20 -84.3 -44.07 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.99 -29.56 21.28 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' CB ' HD22 ' A' ' 49' ' ' LEU . 1.5 m-20 -74.83 -41.11 60.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.674 HD13 ' HB3' ' A' ' 90' ' ' ARG . 96.7 mt -47.74 -52.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.697 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.0 ttt-85 -54.82 -44.8 74.17 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -70.78 -4.47 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.24 -27.95 6.67 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 66' ' ' GLU . 78.9 mt -72.74 -60.47 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -35.26 -62.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.395 1.059 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.573 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.4 mt -46.18 -64.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' CB ' HD11 ' A' ' 84' ' ' LEU . 13.5 mt -51.35 -35.45 38.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.1 mt-10 -68.82 -16.39 63.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.2 mt-10 -93.82 -29.34 15.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.249 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 42' ' ' GLN . 16.1 mt -79.57 -22.16 44.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -44.43 -63.68 1.05 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.96 -27.03 10.45 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.546 1.813 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.25 35.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.04 167.76 28.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.3 m -72.73 177.52 4.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.746 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -48.18 51.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 4.2 pt-20 -73.84 -5.84 43.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -89.02 -35.24 16.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HG2' HD13 ' A' ' 69' ' ' LEU . 76.8 mt-30 -62.8 -29.12 70.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -59.36 -36.13 75.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.04 -21.93 39.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.511 ' O ' ' C ' ' A' ' 81' ' ' VAL . 18.6 m-30 -80.28 -72.74 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.781 HG13 ' CD1' ' A' ' 100' ' ' TYR . 94.6 t -31.64 -57.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -41.35 -55.99 2.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.798 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.8 m-30 -64.42 -29.24 70.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.66 HD11 ' CB ' ' A' ' 65' ' ' LEU . 8.6 mp -68.6 -32.58 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.39 -58.56 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.743 HG22 HD21 ' A' ' 12' ' ' LEU . 4.9 p -45.02 -43.22 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -49.15 32.28 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.2 m-20 -57.77 -47.74 81.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -50.51 -46.56 57.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.674 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.94 -34.11 53.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 58' ' ' ILE . 6.0 mt -88.29 7.81 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 mttt 68.45 36.61 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -105.51 72.54 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.519 1.137 . . . . 0.0 110.253 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.802 ' CZ ' ' HB1' ' A' ' 124' ' ' ALA . 3.3 m-85 -70.23 -52.21 24.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -38.36 -40.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 1.0 OUTLIER -88.27 -56.36 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.219 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 101' ' ' VAL . . . -38.71 -66.3 0.29 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD12 ' CE ' ' A' ' 125' ' ' MET . 3.0 mt -48.24 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 98' ' ' LEU . 7.1 tmtt? -38.89 -30.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.781 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -93.57 -38.95 11.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 105' ' ' LEU . 1.2 t -68.67 -48.79 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -51.86 -50.85 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 107' ' ' THR . . . -65.43 -42.24 95.99 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.5 tm? -65.62 -29.7 70.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 0.74 . . . . 0.0 109.365 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 101' ' ' VAL . 21.9 mt -83.77 -25.0 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.53 -35.15 76.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.476 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.0 OUTLIER -102.38 -24.48 13.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.476 ' HG2' HG23 ' A' ' 107' ' ' THR . 24.0 mm-40 -124.34 75.5 61.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -30.61 6.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -71.85 -26.02 62.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -50.95 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -67.1 -39.92 86.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.405 ' O ' ' SD ' ' A' ' 8' ' ' MET . 8.2 mt-30 -54.75 -36.44 64.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.55 19.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.234 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -46.83 -59.42 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.7 OUTLIER -48.73 -60.35 2.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 121' ' ' ILE . 11.2 tp -39.86 -59.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.418 ' HB2' HD11 ' A' ' 105' ' ' LEU . 1.9 tt0 -40.83 -49.64 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -35.29 71.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.734 HD11 ' HG2' ' A' ' 8' ' ' MET . 87.2 mt -58.64 -61.76 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.3 mt -52.54 -44.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.45 -39.84 2.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -83.1 -48.09 10.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.802 ' HB1' ' CZ ' ' A' ' 94' ' ' TYR . . . -39.87 -40.48 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mmt -64.43 -49.21 72.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -87.05 47.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -141.87 -61.7 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.38 -174.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 110.025 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -176.36 177.99 47.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.07 8.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 t -142.76 103.32 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.923 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -89.55 138.24 31.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.035 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.84 160.93 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 0.801 . . . . 0.0 109.987 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.73 86.51 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.29 -179.98 15.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -143.8 89.05 2.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 0.75 . . . . 0.0 109.923 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -103.48 101.86 11.75 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.06 -112.41 1.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.495 ' CE ' HD13 ' A' ' 12' ' ' LEU . 8.7 tpt -119.15 -39.63 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.706 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -68.62 -14.24 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' ASN . . . -89.63 -56.62 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.2 t -45.47 -42.88 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.694 ' CD2' ' CE2' ' A' ' 89' ' ' TYR . 1.6 tp -68.81 -36.19 77.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -69.08 -60.15 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' ASN . 1.1 tm-20 -38.03 145.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.301 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -121.47 -172.39 2.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.609 1.193 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -115.05 147.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.37 140.94 42.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.19 -46.91 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -45.41 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 23' ' ' ASN . 3.1 m-20 -82.76 -53.61 5.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD21 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -41.0 -48.77 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -61.08 -45.3 95.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.4 t-20 -51.49 -48.98 62.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 87.2 m-85 -73.88 -49.9 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 13.4 tt0 -54.06 -27.29 31.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -79.56 -46.81 16.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.366 1.041 . . . . 0.0 110.329 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -47.54 81.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.586 1.179 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.705 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 t80 -54.91 -64.16 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -47.53 -61.58 1.86 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.8 t -49.15 -62.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 45.4 mm-40 -47.66 -30.17 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' ' 37' ' ' VAL . 15.3 tt0 -64.5 -60.88 2.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.12 -9.28 51.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -74.3 -27.28 60.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.72 -38.15 0.81 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.573 1.171 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.6 p 178.09 129.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.1 t -68.87 129.87 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -76.55 146.78 38.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.66 -51.16 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.9 m -42.89 -58.25 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -60.12 -31.48 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.694 ' HG2' HD11 ' A' ' 68' ' ' LEU . 22.4 tt0 -65.77 -66.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -55.09 -34.61 63.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 25.8 mm-40 -61.79 -76.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 37.7 t80 -47.18 -48.87 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.95 -34.05 62.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.836 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 44.7 t-105 -75.72 -30.29 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.007 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.679 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -68.75 -39.33 80.34 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 108.282 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD23 HD21 ' A' ' 21' ' ' LEU . 61.3 mt -62.9 -51.48 66.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 47' ' ' TRP . 26.9 m -69.06 59.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -175.35 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.668 ' HA ' HG12 ' A' ' 16' ' ' VAL . 27.9 t -39.16 153.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.952 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -58.33 -32.91 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -74.48 158.72 33.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.612 ' HA ' HD12 ' A' ' 58' ' ' ILE . 44.8 m-20 -99.17 -47.07 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -46.61 -32.94 3.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ILE . 19.6 m-20 -71.35 -50.27 33.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 90' ' ' ARG . 4.2 mt -39.11 -50.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.523 ' HB2' HD22 ' A' ' 91' ' ' LEU . 11.6 ttt-85 -58.48 -49.14 78.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.604 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -52.16 -27.11 13.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -79.99 -16.0 77.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.546 ' O ' ' C ' ' A' ' 63' ' ' VAL . 5.5 mm -73.59 -69.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.552 HG13 ' H ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -28.78 -63.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 46' ' ' ALA . 1.5 mt -50.6 -58.43 5.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 84' ' ' LEU . 6.5 mt -54.41 -42.71 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 68.4 mt-10 -69.93 -9.82 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.58 -15.47 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.4 mt -97.91 -17.88 19.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.56 -61.02 5.18 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.0 -24.7 12.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -87.79 15.64 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.83 -179.03 40.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -96.04 -73.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -75.68 -1.9 26.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.2 -34.24 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 12.4 mt-30 -55.89 -31.52 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.477 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -79.93 -22.68 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 83' ' ' TYR . 21.4 m-30 -81.77 -70.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.856 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.3 t -39.67 -47.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 8.5 t80 -47.58 -40.21 18.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.836 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.0 m-30 -81.98 -51.77 7.72 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.538 1.149 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.9 mp -42.21 -35.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.56 -48.37 17.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 12' ' ' LEU . 2.8 t -52.9 -50.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.93 -63.94 4.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 10.9 m-20 -40.76 -53.22 2.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.694 ' CE2' ' CD2' ' A' ' 12' ' ' LEU . 10.2 t80 -45.89 -63.48 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.702 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.54 -27.41 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 91' ' ' LEU . 3.1 tp -84.29 7.21 20.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 91' ' ' LEU . 4.2 mtmt 73.2 28.47 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' HB2' ' CA ' ' A' ' 88' ' ' ASN . 8.0 mm-40 -108.93 76.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.592 ' O ' HD22 ' A' ' 98' ' ' LEU . 1.9 m-85 -73.23 -61.45 1.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 94' ' ' TYR . 9.1 mm-40 -35.42 -62.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -58.51 -57.11 14.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -41.09 -58.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 94' ' ' TYR . 0.2 OUTLIER -53.93 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -40.28 -29.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.856 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.63 -42.0 12.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.2 t -73.55 -53.45 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 98' ' ' LEU . 4.3 mtm180 -54.07 -49.86 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.85 -34.16 87.84 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.61 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.4 tp -70.31 -39.25 74.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.28 -26.66 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -24.0 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.477 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -117.13 -10.59 10.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.37 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.468 ' HG3' HD11 ' A' ' 104' ' ' LEU . 25.8 mm-40 -134.12 63.1 60.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -73.43 -8.62 56.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.451 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 62.3 t30 -83.58 76.0 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -42.21 -35.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 2.7 mp0 -47.39 -37.41 11.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.77 48.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -61.63 -52.97 62.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mt-10 -56.67 -56.65 18.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.1 HD22 HD11 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -38.95 -60.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 117' ' ' LEU . 2.8 tm-20 -37.77 -53.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.62 -37.81 80.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 117' ' ' LEU . 95.7 mt -56.99 -55.62 32.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.1 HD11 HD22 ' A' ' 117' ' ' LEU . 3.2 mt -63.04 -50.28 80.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -39.88 -58.98 1.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -56.3 -44.37 79.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.232 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 121' ' ' ILE . . . -47.04 -52.37 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.217 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.0 mtt -45.5 -55.27 6.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -35.04 79.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -71.42 75.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.41 175.22 2.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.44 1.087 . . . . 0.0 110.026 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -67.97 176.7 25.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.413 1.071 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 145.83 31.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.63 147.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -164.3 158.53 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -170.63 132.32 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -176.0 -55.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.59 166.72 20.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.41 94.38 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 63.42 68.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.66 -119.23 3.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.437 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 8.2 tpt -102.79 -48.15 4.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.26 -13.9 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.36 -40.73 13.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.59 1.181 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.6 -47.61 88.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 89' ' ' TYR . 12.5 mt -68.21 -35.17 77.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -62.66 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.15 158.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.9 mt -125.46 174.29 8.3 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.811 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -100.8 153.63 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.62 124.14 40.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 19' ' ' GLU . 4.8 p -44.04 -51.29 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -45.97 -62.26 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.179 . . . . 0.0 110.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.3 -52.39 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD11 HD23 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -48.2 -44.46 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.063 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.65 -41.91 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.0 -27.98 69.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -92.53 -35.14 13.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 13.9 tt0 -67.95 -45.7 73.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 30' ' ' SER . 4.7 ttm180 -61.33 -50.93 70.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -46.51 70.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.703 ' CE1' ' CG ' ' A' ' 42' ' ' GLN . 20.9 t80 -63.9 -66.22 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 111.063 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -50.79 -48.43 59.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 22.9 t -53.91 -41.22 67.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 6.7 mm-40 -82.78 -18.4 40.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.362 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 tt0 -75.72 -61.34 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.218 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.18 -12.7 53.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.342 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -68.85 -25.03 64.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.92 -18.46 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.26 142.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 0.807 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.1 p -132.75 152.49 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 m -69.75 165.13 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.959 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' CG ' HD22 ' A' ' 68' ' ' LEU . 15.2 mttt -69.94 -52.65 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' LYS . 32.0 m -37.03 -67.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -47.16 -55.14 9.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.703 ' CG ' ' CE1' ' A' ' 28' ' ' PHE . 1.6 tm0? -55.52 -69.05 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -43.45 -44.92 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 31.1 mt-10 -55.27 -62.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t80 -49.47 -34.67 17.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -64.36 -60.04 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.765 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 55.0 t-105 -53.06 -32.17 45.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 15.9 m -64.35 -47.82 77.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.637 1.211 . . . . 0.0 108.307 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.858 HD23 HD11 ' A' ' 21' ' ' LEU . 17.6 mt -53.52 -63.95 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.459 1.099 . . . . 0.0 109.216 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 15.8 m -48.01 -46.02 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' CB ' ' HB ' ' A' ' 16' ' ' VAL . 9.9 mmm180 -54.79 -22.91 15.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.811 ' HA ' HG12 ' A' ' 16' ' ' VAL . 13.0 t -56.79 174.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -18.06 23.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.693 ' HA ' HD12 ' A' ' 58' ' ' ILE . 10.3 m-20 -103.62 -32.43 9.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 -29.86 70.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -75.9 -26.31 56.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 55' ' ' ASN . 97.7 mt -61.61 -67.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 62' ' ' ILE . 19.5 ttm105 -38.51 -34.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.793 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.13 -63.12 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -47.66 -18.34 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.42 1.075 . . . . 0.0 110.979 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.576 HG22 ' CD ' ' A' ' 66' ' ' GLU . 64.6 mt -77.09 -64.6 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 60' ' ' ARG . 15.0 m -41.19 -40.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 63' ' ' VAL . 10.0 mt -62.36 -58.11 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 ' CB ' HD11 ' A' ' 84' ' ' LEU . 8.4 mt -63.1 -29.08 70.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.576 ' CD ' HG22 ' A' ' 62' ' ' ILE . 75.1 mt-10 -75.17 -17.79 60.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 0.0 110.302 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 3.0 mm-40 -91.08 -35.1 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.574 HD22 ' CG ' ' A' ' 39' ' ' LYS . 83.8 mt -79.38 -20.66 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.24 -61.36 8.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.532 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.07 -9.11 20.54 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -113.49 16.32 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -100.4 -156.4 27.79 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.28 -89.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.007 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -160.67 -66.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HA ' ' NE ' ' A' ' 78' ' ' ARG . 3.3 mm-40 -65.2 -10.81 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.6 -15.12 38.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.433 1.083 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.846 ' HG2' HD23 ' A' ' 69' ' ' LEU . 16.5 mt-30 -73.44 -12.53 60.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.236 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -77.39 -22.78 51.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -37.35 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 1.065 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.468 ' CB ' ' HG ' ' A' ' 69' ' ' LEU . 18.8 m-85 -64.15 -69.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.774 HG13 ' CD1' ' A' ' 100' ' ' TYR . 59.5 t -39.09 -53.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 12.3 t80 -40.68 -41.88 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.765 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 11.8 m-30 -82.3 -51.31 8.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 9.6 mp -39.46 -42.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.494 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -71.0 -56.61 5.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.622 HG23 HD11 ' A' ' 117' ' ' LEU . 2.7 t -40.48 -50.77 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -64.59 -49.7 63.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 14.7 m-80 -53.45 -55.31 26.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 0.715 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.64 ' CE2' HD13 ' A' ' 12' ' ' LEU . 17.2 t80 -45.11 -51.17 10.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.651 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.47 -32.87 41.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD11 HG22 ' A' ' 58' ' ' ILE . 1.1 mt -92.23 24.42 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER 52.34 27.84 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 94' ' ' TYR . 7.2 mm-40 -88.12 42.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.628 ' CD2' ' HB3' ' A' ' 125' ' ' MET . 8.4 m-85 -36.55 -56.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.407 1.067 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.36 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -50.72 -53.56 30.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.9 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -49.92 -57.7 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.11 -29.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.774 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -96.36 -37.96 10.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -74.61 -9.39 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -88.79 -60.51 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -60.54 -23.99 61.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.7 tm? -77.87 -41.53 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 0.71 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.56 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 8.4 mt -68.59 -36.2 78.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -51.07 47.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.867 HG23 ' HG2' ' A' ' 108' ' ' GLU . 9.2 t -85.76 -17.89 34.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.867 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.2 mm-40 -131.43 66.51 78.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.96 -22.4 14.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -81.58 -15.23 55.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -68.62 115.53 8.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -72.81 -50.2 25.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.7 mt-30 -41.24 -45.96 3.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.56 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -70.05 -54.26 13.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.402 ' N ' HD21 ' A' ' 105' ' ' LEU . 18.9 mttt -40.19 -56.23 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.9 mt-10 -50.04 -61.31 2.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.123 HD22 HD11 ' A' ' 121' ' ' ILE . 2.5 mt -40.25 -61.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.4 tt0 -35.31 -59.99 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -63.68 -48.14 78.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.3 mt -46.57 -52.56 13.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.123 HD11 HD22 ' A' ' 117' ' ' LEU . 3.5 mt -72.3 -41.85 65.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -42.73 -46.22 5.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -76.92 -43.03 37.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -40.21 -82.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.628 ' HB3' ' CD2' ' A' ' 94' ' ' TYR . 0.9 OUTLIER -41.29 -34.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -47.28 82.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 124' ' ' ALA . 4.0 mttt -70.85 67.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -96.35 -177.05 3.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.84 -145.5 9.97 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.8 3.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 85.3 p -145.22 163.32 34.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.8 t -139.1 160.57 39.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.965 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.82 89.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 109.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.68 105.96 14.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.03 -156.38 9.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -158.43 -70.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.0 110.034 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m -76.26 135.71 39.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.34 -90.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -60.42 -51.11 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.079 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -16.91 4.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 110.342 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -100.35 -53.89 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.65 -41.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 120' ' ' LEU . 6.2 tp -71.82 -26.58 62.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.92 -71.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -38.89 123.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 53' ' ' LYS . 31.9 mt -94.53 168.74 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -87.52 149.54 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -95.22 145.0 25.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 22' ' ' LYS . 52.6 t -55.55 -38.26 49.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -55.33 16.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.16 -62.93 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 21' ' ' LEU . 3.0 tm? -41.49 -34.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' HG3' HG12 ' A' ' 18' ' ' VAL . 2.2 mmtp -76.43 -62.81 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -47.61 -39.31 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 8.6 m-85 -77.75 -26.72 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' LYS . 10.8 tt0 -69.53 -44.34 71.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -62.93 -56.05 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -40.26 -47.22 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 37' ' ' VAL . 25.3 t80 -56.13 -59.92 4.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 36.6 mt-30 -53.05 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -41.48 -68.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 19.9 mt-10 -43.74 -31.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 12.0 tt0 -62.82 -60.22 3.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.4 -8.95 51.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.08 -44.97 59.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.44 -37.3 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 p 170.92 122.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 28' ' ' PHE . 51.0 t -58.83 137.02 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.8 m -86.11 154.06 21.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.08 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -50.52 -32.54 18.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 39' ' ' LYS . 33.0 p -56.77 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.6 m -43.15 -39.33 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.956 ' HG2' HD11 ' A' ' 68' ' ' LEU . 30.4 tt0 -60.8 -62.09 2.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.474 ' CE1' ' CE2' ' A' ' 83' ' ' TYR . 9.4 t80 -59.45 -38.39 80.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.05 -68.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -48.65 -27.85 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.664 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -69.52 -54.73 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.754 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 46.2 t-105 -59.02 -32.62 69.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 13.6 m -62.93 -46.71 86.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.588 1.18 . . . . 0.0 108.348 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 60' ' ' ARG . 24.0 mt -55.97 -67.47 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 47' ' ' TRP . 11.2 m -44.31 -47.54 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 1.3 mmm180 -51.52 -34.45 36.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.072 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.784 ' HA ' HG12 ' A' ' 16' ' ' VAL . 8.4 t -51.2 -177.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.776 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -107.88 0.93 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.28 149.98 23.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' OD1' ' NH1' ' A' ' 90' ' ' ARG . 3.5 m-20 -84.17 -46.18 12.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.14 -38.88 74.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.44 -41.63 98.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 90' ' ' ARG . 56.2 mt -55.46 -53.96 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -47.17 -46.75 23.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.579 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -55.88 -55.63 30.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.0 -40.41 35.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.023 HG23 HD21 ' A' ' 84' ' ' LEU . 78.9 mt -56.07 -54.45 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.51 0.771 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 67' ' ' GLU . 61.7 t -48.28 -51.76 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.4 mt -57.7 -63.13 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -51.05 -44.1 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.727 ' CG ' HD11 ' A' ' 84' ' ' LEU . 26.6 mt-10 -70.9 -17.13 62.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 63' ' ' VAL . 1.9 mt-10 -90.72 -43.15 10.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.956 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -76.46 -14.87 60.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.911 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -65.1 -63.06 3.9 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -75.02 -2.8 13.01 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -124.39 18.91 8.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -116.62 -177.82 17.99 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -157.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -93.72 -45.54 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' O ' ' NE ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -82.41 6.64 16.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 80' ' ' TYR . 1.4 mm-40 -108.52 -15.93 14.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.911 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.9 mt-30 -81.09 -42.05 21.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -60.29 -19.55 55.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.535 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 56.6 t0 -86.38 -34.09 20.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.5 m-30 -71.56 -60.48 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.858 HG13 ' CD1' ' A' ' 100' ' ' TYR . 63.2 t -39.48 -51.74 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.241 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 26.0 t80 -42.01 -45.46 3.87 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.754 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 16.1 m-30 -76.29 -41.78 47.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 100' ' ' TYR . 1.6 mt -54.5 -29.34 50.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -83.32 -21.83 33.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 12' ' ' LEU . 4.0 t -80.66 -47.11 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.376 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.12 -49.29 54.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 3.7 m-80 -55.68 -51.63 66.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.513 ' CD1' HG13 ' A' ' 121' ' ' ILE . 4.1 t80 -47.88 -49.52 29.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.662 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.31 -30.42 38.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -88.27 12.3 14.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 89' ' ' TYR . 0.4 OUTLIER 69.16 10.75 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.082 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.69 69.91 10.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 121' ' ' ILE . 6.3 m-30 -63.77 -35.33 80.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 111.042 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -53.9 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 100' ' ' TYR . 60.6 mmtt -48.06 -38.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -54.3 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' ARG . 2.8 mm? -45.52 -58.53 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' LEU . 2.6 tttt -39.05 -35.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.116 ' CE2' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -86.5 -41.02 14.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.153 . . . . 0.0 111.002 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.558 ' CG2' HD13 ' A' ' 117' ' ' LEU . 0.5 OUTLIER -63.83 -47.33 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.509 ' HD3' HD12 ' A' ' 98' ' ' LEU . 4.5 mmm180 -61.55 -33.55 74.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.41 -6.64 89.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 78' ' ' ARG . 1.6 tm? -102.27 -51.67 3.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.943 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.4 mm? -43.75 -33.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.7 -64.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.692 HG23 ' HG2' ' A' ' 108' ' ' GLU . 6.6 t -80.72 -2.45 46.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.692 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.9 mm-40 -140.12 62.03 19.5 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.02 -44.61 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -69.02 -21.99 64.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.57 113.05 2.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' LYS . 5.9 m-20 -67.74 -53.08 30.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 6.4 mt-30 -39.85 -46.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.943 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.57 -43.01 73.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ASN . 10.0 mtpt -55.35 -54.33 45.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' LEU . 1.2 mm-40 -58.72 -49.62 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 121' ' ' ILE . 0.3 OUTLIER -46.39 -56.36 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.447 ' HG2' HD11 ' A' ' 98' ' ' LEU . 0.8 OUTLIER -51.07 -22.2 2.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 116' ' ' GLU . 22.7 mtt180 -95.94 -33.91 12.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.745 HD12 HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -51.07 -52.12 46.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.597 HD11 ' CD2' ' A' ' 117' ' ' LEU . 2.7 mp -69.96 -43.59 79.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -40.97 -34.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -48.25 12.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 127' ' ' LYS . . . -47.14 -60.38 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.565 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -39.14 -46.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -42.53 67.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 124' ' ' ALA . 2.9 mttt -55.71 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 54.7 p 44.29 86.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -74.13 155.29 48.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 140.16 25.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.398 1.736 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 22.9 p -144.55 -64.44 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.38 -59.72 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.21 103.26 6.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.055 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 163.69 38.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.47 93.83 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.98 -63.15 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.043 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -92.31 153.47 19.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 -94.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.827 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.9 tpt -121.34 -41.94 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -75.5 -17.41 60.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.08 -48.15 7.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 12' ' ' LEU . 8.8 p -59.14 -54.32 35.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.378 1.049 . . . . 0.0 109.232 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 117' ' ' LEU . 14.3 mt -64.53 -11.79 37.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.213 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 -79.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.32 139.55 1.01 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -115.34 165.9 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG11 HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.71 149.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -109.59 144.83 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.93 -44.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.69 -57.66 2.64 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.442 1.088 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' ASN . 4.3 m-20 -69.79 -52.83 21.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 HG11 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -42.51 -45.97 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.367 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -59.4 -44.59 92.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t30 -50.21 -51.74 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CE2' ' SG ' ' A' ' 48' ' ' CYS . 98.2 m-85 -73.54 -52.94 11.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -40.27 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -81.99 -54.26 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -47.12 -53.7 12.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.744 ' CD1' HG11 ' A' ' 37' ' ' VAL . 78.7 t80 -57.26 -67.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 65.4 mm-40 -42.55 -72.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.75 -67.19 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 27' ' ' LYS . 4.6 mm-40 -43.48 -30.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 9.0 tt0 -64.9 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.25 -10.69 56.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.225 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.26 -32.19 64.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' SER . . . 159.84 -28.83 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.387 1.054 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER 163.38 131.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.95 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG11 ' CD1' ' A' ' 28' ' ' PHE . 41.0 t -68.7 134.57 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.8 m -79.1 152.09 31.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -47.91 -53.27 16.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -44.69 -58.45 3.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 27' ' ' LYS . 19.4 m -59.86 -33.26 71.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.459 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.79 ' HG2' HD11 ' A' ' 68' ' ' LEU . 9.0 tt0 -65.77 -63.74 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 4.3 t80 -55.62 -37.22 67.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 33.9 mt-10 -60.47 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 49' ' ' LEU . 44.9 t80 -43.93 -41.0 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -60.74 -50.07 74.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.804 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 26.9 t-105 -59.9 -36.07 76.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' ' CE2' ' A' ' 24' ' ' PHE . 65.0 m -61.81 -52.98 61.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CA ' ' HB3' ' A' ' 57' ' ' ASP . 64.2 mt -48.97 -54.2 16.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' CE3' ' A' ' 47' ' ' TRP . 28.1 m -68.63 60.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' NH2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -173.0 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -39.39 159.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.785 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.55 -8.0 43.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.57 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 16.9 m-85 -100.65 161.63 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.589 ' HA ' HD12 ' A' ' 58' ' ' ILE . 6.1 p-10 -93.41 -31.53 14.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.52 -53.15 19.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.502 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 22.3 m-20 -48.67 -53.64 17.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.634 HD13 ' HB3' ' A' ' 90' ' ' ARG . 20.0 mt -46.52 -32.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -71.4 -52.72 17.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -81.51 9.96 6.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -108.65 -39.97 1.67 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 ' C ' ' A' ' 87' ' ' GLY . 63.7 mt -69.26 -47.92 71.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 0.727 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.763 HG23 HD23 ' A' ' 64' ' ' LEU . 35.4 m -46.52 -56.11 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 63' ' ' VAL . 7.6 mt -49.77 -63.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HB3' HD11 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.48 -33.86 46.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' CG ' HD23 ' A' ' 84' ' ' LEU . 20.2 mt-10 -70.37 -16.41 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 -31.43 15.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD11 ' HG2' ' A' ' 42' ' ' GLN . 1.8 mt -81.98 -19.44 40.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -47.18 -61.78 2.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -25.65 11.55 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.483 1.78 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -93.67 24.7 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -85.08 -160.83 33.23 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -121.16 -55.36 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.011 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 177.94 -72.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.42 -4.98 45.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 2.7 mt-10 -86.96 -18.36 30.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' HD13 ' A' ' 69' ' ' LEU . 4.5 mt-30 -74.84 -24.23 58.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -71.89 -48.69 43.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.82 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 76' ' ' GLU . 12.2 m-30 -74.07 -77.85 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.875 HG13 ' CD1' ' A' ' 100' ' ' TYR . 46.5 t -38.2 -51.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 113' ' ' GLN . 13.9 t80 -39.42 -38.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.804 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 15.9 m-30 -83.84 -47.35 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' A' ' 65' ' ' LEU . 7.4 mp -45.83 -36.58 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -75.63 -35.77 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.408 1.068 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.616 HG13 ' CD2' ' A' ' 12' ' ' LEU . 3.2 t -66.57 -44.78 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' C ' HD11 ' A' ' 62' ' ' ILE . . . -71.45 -46.17 42.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.583 1.177 . . . . 0.0 111.049 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 45.0 m-20 -58.41 -47.15 84.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.4 t80 -53.71 -45.52 70.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.634 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.22 -33.28 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD11 HG22 ' A' ' 58' ' ' ILE . 11.8 mt -89.54 18.93 4.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 1.3 tmtt? 57.63 21.96 7.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -88.8 47.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.609 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 6.0 m-30 -43.43 -48.67 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' TYR . 25.6 mm-40 -38.75 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -52.44 -51.56 58.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -38.51 -70.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.485 HD12 ' HD3' ' A' ' 102' ' ' ARG . 3.1 mm? -47.69 -62.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' LEU . 3.5 mtpp -39.02 -32.93 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.875 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.42 -40.62 13.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -66.26 -51.3 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 101' ' ' VAL . 26.3 mmm-85 -56.29 -35.25 67.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.96 -14.08 82.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.605 1.191 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 78' ' ' ARG . 2.8 tm? -92.81 -52.44 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.905 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.6 mm? -47.22 -26.94 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.56 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.5 t -80.42 -5.48 56.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' A' ' 107' ' ' THR . 4.1 mm-40 -137.13 63.3 43.05 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.03 -35.39 3.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -69.93 -35.57 74.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -44.99 118.77 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -79.59 -38.79 33.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 37.8 mt-30 -56.48 -32.61 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.243 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.905 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -81.45 -43.52 18.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.2 mttt -55.07 -62.04 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -44.0 -58.63 2.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.636 HD13 HD11 ' A' ' 12' ' ' LEU . 10.1 tp -44.81 -62.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -41.29 -33.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 5.8 tpt180 -84.21 -46.2 12.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.827 HD11 ' HG2' ' A' ' 8' ' ' MET . 89.3 mt -46.1 -65.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 124' ' ' ALA . 3.2 mt -50.02 -39.93 16.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.3 t0 -43.13 -43.06 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -83.9 -42.45 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 121' ' ' ILE . . . -46.19 -32.02 2.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.609 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.2 mmt -71.84 -44.57 63.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.67 9.23 19.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.406 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -103.2 95.88 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 m -48.0 141.01 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -159.57 159.02 30.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 167.22 27.55 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.589 1.837 . . . . 0.0 111.005 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.51 175.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.7 p 171.3 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 0.0 109.956 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -41.93 123.65 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 0.704 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.79 167.7 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.045 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.65 -94.3 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.82 99.36 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.952 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.52 -61.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -160.13 27.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -110.31 -46.08 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.53 -13.9 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.53 -42.04 10.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.89 -42.11 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.866 HD21 ' CE2' ' A' ' 89' ' ' TYR . 2.6 tp -74.31 -42.56 59.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.2 149.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.81 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.5 pp -120.42 157.06 30.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.931 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -58.6 153.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 m -97.83 131.21 44.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.57 -52.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -45.12 -39.71 6.25 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.409 1.068 . . . . 0.0 110.32 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -79.68 -53.57 6.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.6 tm? -39.99 -44.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 24' ' ' PHE . 9.2 mmtt -63.71 -54.92 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.227 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.4 t-20 -39.3 -33.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 72.1 m-85 -92.13 -39.11 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' LYS . 20.0 tt0 -55.45 -27.89 50.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -79.94 -62.42 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ARG . 6.0 tttt -39.88 -50.38 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CD1' HG11 ' A' ' 37' ' ' VAL . 31.8 t80 -53.86 -59.8 4.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLN . 49.2 mt-30 -50.87 -69.78 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.45 -57.03 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 8.3 mm-40 -52.07 -32.75 36.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.212 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.1 tt0 -63.99 -59.83 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.28 47.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -72.0 -25.01 61.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.41 -35.52 1.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 p 176.36 126.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.593 0.82 . . . . 0.0 109.948 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.639 HG11 ' CD1' ' A' ' 28' ' ' PHE . 45.8 t -66.52 130.74 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.0 m -77.83 150.12 34.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.2 -50.77 11.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.0 p -39.62 -68.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.9 m -57.91 -42.54 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -52.2 -67.01 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.747 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -57.99 -41.93 84.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 27.8 mt-10 -50.78 -70.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 49' ' ' LEU . 66.1 t80 -58.18 -17.58 19.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -83.48 -22.84 32.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.83 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 35.5 t-105 -87.77 -28.76 21.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 108.08 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 65.7 m -69.56 -42.98 73.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD13 ' HB3' ' A' ' 60' ' ' ARG . 64.7 mt -58.3 -51.32 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 47' ' ' TRP . 31.0 m -67.93 59.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER 179.79 -35.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.931 ' HA ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -39.72 152.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.81 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.16 -16.49 20.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 24.0 m-85 -101.11 124.64 47.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.699 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.3 m-20 -70.47 -38.84 74.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -23.61 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -83.82 -38.58 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 55' ' ' ASN . 85.8 mt -44.47 -43.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HD3' HD13 ' A' ' 91' ' ' LEU . 2.8 mmt180 -63.29 -43.04 99.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.74 ' HB3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -57.68 -20.83 36.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.453 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -85.43 -43.58 6.5 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 84' ' ' LEU . 70.9 mt -53.22 -59.47 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -33.08 -62.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.781 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.1 mt -53.1 -53.19 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 2.5 mp -52.41 -46.52 66.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HG2' HD11 ' A' ' 84' ' ' LEU . 19.2 mt-10 -68.44 -8.37 40.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -103.16 -26.92 12.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.245 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.747 HD13 ' HB2' ' A' ' 43' ' ' PHE . 32.6 mt -88.32 -16.6 32.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -45.95 -63.74 1.17 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.05 -24.21 12.96 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.562 1.822 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.43 42.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.4 1.062 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.16 157.07 27.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.414 ' N ' ' HB2' ' A' ' 76' ' ' GLU . 13.0 t -75.6 -151.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.457 0.739 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 7.8 mttp -76.2 -81.23 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -47.41 -23.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' N ' ' A' ' 73' ' ' SER . 3.7 mm-40 -66.4 -33.82 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.531 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 60.4 mt-30 -79.61 -20.82 45.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD23 ' A' ' 104' ' ' LEU . 1.9 mpt_? -67.03 -38.67 86.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -81.2 -10.44 59.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 16.9 m-30 -88.39 -73.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.946 HG12 ' O ' ' A' ' 100' ' ' TYR . 47.5 t -37.44 -48.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -58.09 -64.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.83 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 13.7 m-30 -58.0 -25.42 61.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.115 HD13 ' CE1' ' A' ' 100' ' ' TYR . 0.9 OUTLIER -72.84 -24.71 60.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.767 ' HB2' ' HB3' ' A' ' 100' ' ' TYR . . . -89.94 -55.81 3.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.726 HG12 ' HA ' ' A' ' 83' ' ' TYR . 9.8 p -45.97 -42.27 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.56 -44.61 57.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.8 m-20 -62.64 -47.53 83.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.866 ' CE2' HD21 ' A' ' 12' ' ' LEU . 5.2 t80 -48.28 -47.98 36.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.13 -28.88 42.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 59' ' ' ARG . 2.0 mt -92.17 7.99 40.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.487 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 33.0 mttp 70.59 30.4 3.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.93 61.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.1 m-30 -61.67 -60.78 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 94' ' ' TYR . 4.6 mt-10 -38.11 -30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 94' ' ' TYR . 55.1 mttt -93.5 -56.77 2.8 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.162 . . . . 0.0 109.365 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 100' ' ' TYR . . . -40.35 -64.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 ' HD2' ' A' ' 102' ' ' ARG . 6.3 mt -41.64 -63.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.45 36.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.115 ' CE1' HD13 ' A' ' 84' ' ' LEU . 1.6 m-85 -91.04 5.84 47.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.708 HG23 ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -120.98 -40.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -61.86 -53.16 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.12 -14.97 20.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.538 1.149 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.591 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.4 tm? -95.49 -17.5 21.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 0.736 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 102' ' ' ARG . 6.0 mt -85.8 -32.02 22.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -39.5 65.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -100.84 -17.91 16.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.451 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 107' ' ' THR . 3.7 mm-40 -137.61 64.91 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.1 Cg_endo -75.01 -34.23 3.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.561 1.821 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.42 -9.52 58.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -72.13 113.66 9.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.217 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -72.36 -37.31 68.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.254 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 8' ' ' MET . 4.5 mt-30 -52.32 -28.5 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 115' ' ' LYS . . . -95.63 -56.78 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 mttt -37.26 -57.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -48.33 -64.79 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.676 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.8 tp -39.88 -60.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 105' ' ' LEU . 14.1 tt0 -38.68 -46.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 110.361 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.1 tpp180 -76.14 -41.42 50.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 117' ' ' LEU . 44.3 mt -51.24 -50.11 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.381 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.624 HD11 ' HG ' ' A' ' 117' ' ' LEU . 3.7 mt -62.58 -22.01 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 1.1 t70 -68.15 -48.75 64.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -32.48 65.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.61 -67.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.6 mtt -39.67 -55.8 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -44.26 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -60.93 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.1 t -46.56 133.47 10.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 128.06 -176.36 18.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 82.38 2.01 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.398 1.736 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.6 p -62.79 126.06 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.8 t 47.85 80.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.64 80.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.31 129.68 9.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.3 107.67 2.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -159.15 105.16 1.72 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 0.78 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 55.42 177.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.26 -78.06 0.97 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 117' ' ' LEU . 11.2 tpt -98.61 -45.64 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.35 -14.48 18.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.236 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.92 -39.99 11.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.13 -48.41 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 120' ' ' LEU . 11.3 mt -67.65 -38.19 83.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.52 -81.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.3 158.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 53' ' ' LYS . 28.3 mt -122.97 166.43 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.4 OUTLIER -80.79 143.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 m -88.6 130.59 35.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.404 1.065 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 19' ' ' GLU . 6.1 p -51.06 -51.57 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' N ' HG13 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -37.28 -48.87 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 23' ' ' ASN . 6.4 m-20 -72.81 -53.28 11.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 48' ' ' CYS . 1.8 tm? -41.77 -53.22 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -60.48 -41.96 95.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t-20 -54.86 -49.79 70.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 47.4 m-85 -72.88 -49.61 28.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.574 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 25.8 tt0 -49.63 -31.6 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -71.15 -41.36 70.54 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 110.372 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -45.65 92.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CE1' HG11 ' A' ' 37' ' ' VAL . 31.2 t80 -56.18 -58.1 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -53.01 -56.79 13.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.072 . . . . 0.0 110.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t -52.66 -65.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 3.6 mm-40 -44.47 -30.43 0.87 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -64.82 -61.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.7 -9.86 52.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.401 1.063 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.49 -30.11 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.89 -35.77 0.62 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 173.13 126.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 28' ' ' PHE . 54.9 t -62.71 130.7 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -79.01 148.61 32.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.91 22.76 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.7 m -40.6 -63.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.4 m -54.1 -49.02 70.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.14 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.56 ' HB3' HD11 ' A' ' 68' ' ' LEU . 27.2 tt0 -48.95 -65.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.361 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.712 ' HB2' HD13 ' A' ' 68' ' ' LEU . 2.6 t80 -55.67 -35.73 66.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 36.9 mt-10 -64.25 -72.88 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 27.2 t80 -48.36 -45.04 35.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . . . -54.54 -57.58 10.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.79 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 32.4 t-105 -54.91 -34.29 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.101 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.2 m -65.29 -41.13 94.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.231 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 60' ' ' ARG . 9.9 mt -59.57 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' CE3' ' A' ' 47' ' ' TRP . 14.4 m -49.63 -37.64 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 9.8 mmm180 -60.79 -23.48 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.238 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.593 ' HA ' HG12 ' A' ' 16' ' ' VAL . 23.3 t -62.01 -170.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.79 -8.58 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.96 140.22 36.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.516 ' O ' HD21 ' A' ' 91' ' ' LEU . 71.6 m-20 -70.72 -44.62 66.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -58.38 -55.16 38.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' CB ' HD22 ' A' ' 49' ' ' LEU . 2.4 m-20 -47.91 -43.02 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.821 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.6 mt -57.24 -70.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HA ' HD12 ' A' ' 62' ' ' ILE . 7.3 ttt85 -37.64 -34.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.883 ' O ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -68.59 -64.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -43.47 -22.59 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.827 HG22 ' HG3' ' A' ' 66' ' ' GLU . 65.0 mt -72.9 -65.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 60' ' ' ARG . 25.0 m -40.96 -38.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.771 HD23 HG23 ' A' ' 63' ' ' VAL . 6.1 mt -66.14 -63.26 1.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 109.239 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.623 ' CB ' HD11 ' A' ' 84' ' ' LEU . 19.8 mt -58.32 -27.65 64.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.827 ' HG3' HG22 ' A' ' 62' ' ' ILE . 1.8 mt-10 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.42 -24.87 18.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.712 HD13 ' HB2' ' A' ' 43' ' ' PHE . 58.3 mt -79.6 -18.75 50.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -49.64 -63.47 1.7 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.6 Cg_endo -74.95 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.061 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -101.0 31.47 3.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.99 -128.37 6.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -158.25 -89.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.01 -72.91 0.32 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.88 -2.62 24.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -77.8 -56.46 4.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.504 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 48.3 mt-30 -47.04 -39.86 13.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.804 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.1 OUTLIER -57.42 -32.82 67.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.88 -22.23 29.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.364 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 20.4 m-30 -77.7 -71.44 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.821 HG13 ' CD1' ' A' ' 100' ' ' TYR . 65.6 t -33.61 -58.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.86 ' HA ' HG12 ' A' ' 86' ' ' VAL . 17.2 m-30 -65.58 -38.04 88.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 65' ' ' LEU . 9.2 mp -60.02 -30.51 69.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -85.39 -58.76 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.86 HG12 ' HA ' ' A' ' 83' ' ' TYR . 3.7 p -50.25 -39.15 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.085 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -69.67 -52.91 18.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 6.4 m-80 -57.07 -48.11 79.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -46.24 -49.26 17.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.821 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.7 -26.91 15.35 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.494 1.121 . . . . 0.0 110.24 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 HD21 ' O ' ' A' ' 55' ' ' ASN . 31.8 mt -93.72 17.32 12.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' TYR . 4.9 mttt 67.3 13.77 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 4.0 mm-40 -85.04 83.4 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 4.6 m-85 -78.24 -55.17 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' TYR . 6.4 mt-10 -36.91 -72.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 97' ' ' ALA . 0.0 OUTLIER -53.72 -54.38 38.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -38.02 -68.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' CD1' ' HD3' ' A' ' 102' ' ' ARG . 2.2 mm? -48.86 -62.49 1.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -36.84 -33.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.821 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.35 -43.5 10.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.919 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.483 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.13 -48.62 87.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.484 ' HD3' ' CD1' ' A' ' 98' ' ' LEU . 10.6 mmm180 -61.34 -38.62 87.55 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.6 1.188 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.85 -4.83 77.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.2 tm? -103.2 -48.72 3.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.784 . . . . 0.0 109.368 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.891 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 4.5 mm? -52.47 -35.28 52.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -67.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.804 HG21 ' NH1' ' A' ' 78' ' ' ARG . 15.1 t -78.78 -8.34 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 107' ' ' THR . 15.6 mm-40 -133.09 64.33 70.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -74.97 -35.26 3.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.586 1.835 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.26 -33.58 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -48.87 118.96 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -77.33 -52.82 8.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' SD ' ' A' ' 8' ' ' MET . 1.1 mp0 -37.68 -48.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.17 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.891 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -67.89 -55.17 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' N ' HD11 ' A' ' 105' ' ' LEU . 1.4 mttt -40.04 -57.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -52.76 -58.03 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.0 HD22 HD11 ' A' ' 121' ' ' ILE . 0.4 OUTLIER -39.35 -63.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -41.67 -55.27 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.84 -37.97 88.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.387 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 117' ' ' LEU . 84.8 mt -57.6 -62.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 1.0 HD11 HD22 ' A' ' 117' ' ' LEU . 2.9 mt -52.45 -47.82 46.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -42.41 -38.72 1.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -77.41 -57.27 3.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 123' ' ' LYS . . . -39.22 -41.51 0.87 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 6.2 mtt -58.4 -50.06 75.03 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -88.02 44.86 1.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -136.53 -62.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.2 m 48.26 82.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -79.23 -145.59 3.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -74.38 122.14 22.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.9 t -169.32 -57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -150.97 -47.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 0.71 . . . . 0.0 110.072 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 63.55 -78.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 149.39 -168.81 29.69 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.97 158.58 30.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.81 160.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.035 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.3 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 4.8 tpt -132.07 -58.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -14.85 17.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.369 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.57 -43.82 7.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 t -58.04 -44.13 86.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.437 1.086 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD12 HG13 ' A' ' 86' ' ' VAL . 6.0 tp -71.65 -40.96 69.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.178 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.75 152.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' O ' ' OE1' ' A' ' 14' ' ' GLU . 3.0 pp -120.63 175.73 5.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.78 HG21 ' O ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -78.49 152.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.07 134.87 51.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.9 t -45.18 -39.27 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.218 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -51.9 65.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.216 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.34 -54.99 18.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 21' ' ' LEU . 2.2 tm? -48.82 -40.5 29.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.07 74.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.07 -53.87 53.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.0 m-85 -67.6 -24.03 65.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.192 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 17.1 tt0 -73.91 -46.25 45.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -38.7 76.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -63.21 -55.27 26.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 37' ' ' VAL . 49.0 t80 -49.9 -57.84 6.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' GLN . 65.7 mt-30 -54.68 -67.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 0.0 110.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -42.69 -56.37 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.574 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 35.1 mm-40 -49.74 -34.77 20.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLN . 9.4 tt0 -63.21 -59.66 4.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.44 -11.44 51.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.118 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.28 -34.97 71.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.84 0.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.608 1.193 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 174.92 129.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 28' ' ' PHE . 46.4 t -68.14 130.45 33.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.3 m -78.71 148.0 33.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -46.32 -54.44 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -64.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.386 1.054 . . . . 0.0 109.943 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.4 m -54.75 -41.51 70.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.906 ' HG2' HD11 ' A' ' 68' ' ' LEU . 24.3 tt0 -54.44 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -60.78 -41.05 94.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.98 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -70.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.245 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -50.6 -31.81 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.13 -41.15 82.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.793 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 39.4 t-105 -63.53 -33.71 76.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 108.058 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.78 ' O ' HG21 ' A' ' 16' ' ' VAL . 62.4 m -69.52 -32.14 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 60' ' ' ARG . 17.1 mt -70.15 -50.09 43.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 47' ' ' TRP . 28.7 m -69.19 57.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.671 ' NH2' HG23 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -171.27 -38.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 16' ' ' VAL . 18.8 t -35.25 144.04 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.001 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HE2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -55.08 -26.7 39.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CD1' ' HE2' ' A' ' 53' ' ' LYS . 34.6 m-85 -80.39 151.86 29.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' HA ' HD12 ' A' ' 58' ' ' ILE . 3.9 m120 -91.91 -32.31 15.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -71.88 -20.48 61.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.719 ' O ' HD22 ' A' ' 49' ' ' LEU . 7.6 m-20 -85.67 -10.8 55.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 HG21 ' O ' ' A' ' 87' ' ' GLY . 30.0 mt -85.83 -46.35 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 7.5 ttt180 -34.26 -70.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.727 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -43.18 -58.96 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.595 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -35.35 -30.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 60' ' ' ARG . 64.2 mt -78.54 -66.08 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.831 HG23 HD23 ' A' ' 64' ' ' LEU . 1.2 m -36.47 -53.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 63' ' ' VAL . 6.2 mt -51.09 -59.76 3.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.653 ' CB ' HD11 ' A' ' 84' ' ' LEU . 6.7 mt -59.32 -34.5 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.637 ' CG ' HD21 ' A' ' 84' ' ' LEU . 73.7 mt-10 -72.89 -12.79 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -91.23 -38.25 12.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.906 HD11 ' HG2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -82.09 -8.86 59.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.858 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -69.4 -60.02 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.94 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -119.52 20.25 12.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.21 -163.13 12.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -175.02 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -80.02 -69.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -55.45 -19.08 8.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.61 -30.44 29.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.247 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.858 ' HG2' HD23 ' A' ' 69' ' ' LEU . 9.5 mt-30 -62.11 -26.46 68.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HG3' ' CG2' ' A' ' 107' ' ' THR . 0.0 OUTLIER -63.09 -31.66 72.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.86 -34.04 62.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 83' ' ' TYR . 20.8 m-30 -71.34 -67.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.674 HG13 ' CD1' ' A' ' 100' ' ' TYR . 83.3 t -39.85 -41.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 14.3 t80 -56.92 -47.31 80.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 9.3 m-30 -75.1 -40.7 59.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.708 HD22 ' CD1' ' A' ' 69' ' ' LEU . 9.1 mp -54.51 -36.76 64.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -77.0 -23.7 52.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG13 HD12 ' A' ' 12' ' ' LEU . 8.5 t -79.24 -45.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -70.75 -27.63 72.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 91' ' ' LEU . 3.6 m-80 -76.55 -54.87 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 92' ' ' LYS . 5.2 t80 -42.92 -46.95 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.548 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.4 tmt_? -50.52 -34.92 27.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -90.35 23.82 2.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 7.2 pttm 53.93 16.87 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 91' ' ' LEU . 30.6 mm-40 -80.5 51.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.622 ' CD1' HG23 ' A' ' 121' ' ' ILE . 7.8 m-85 -47.71 -54.57 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 111.028 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' TYR . 41.9 mt-10 -37.83 -62.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 97' ' ' ALA . 20.9 mttp -60.44 -53.56 56.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -39.6 -64.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.38 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD12 ' CD ' ' A' ' 102' ' ' ARG . 4.1 mm? -55.05 -59.49 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 98' ' ' LEU . 45.0 tttt -37.29 -31.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.674 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -91.27 -43.65 9.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 98' ' ' LEU . 1.1 t -68.96 -49.3 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.723 ' CD ' HD12 ' A' ' 98' ' ' LEU . 0.5 OUTLIER -51.12 -52.75 40.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.2 89.27 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.534 ' HB2' HG11 ' A' ' 81' ' ' VAL . 0.6 OUTLIER -70.66 -44.11 67.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HB1' ' A' ' 114' ' ' ALA . 4.4 mt -50.53 -32.7 19.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -21.5 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -118.0 -11.47 10.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.463 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 111' ' ' ASN . 69.0 mm-40 -133.83 63.2 62.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.3 Cg_endo -75.09 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -71.98 -11.0 60.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 108' ' ' GLU . 50.5 t30 -79.34 84.82 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.408 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.5 m120 -42.31 -41.89 2.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.563 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 39.4 mt-30 -47.07 -42.08 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.01 -31.44 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ASN . 6.9 mttt -72.63 -49.69 30.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 117' ' ' LEU . 3.5 mm-40 -56.5 -61.26 2.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.851 HD22 HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -38.96 -60.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 98' ' ' LEU . 2.7 tm-20 -39.11 -59.11 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -63.07 -39.56 95.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 117' ' ' LEU . 99.4 mt -54.08 -56.38 18.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.851 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -61.56 -49.26 85.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -44.68 -38.16 4.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -76.84 -43.9 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -54.35 -49.24 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 15.1 mtt -44.76 -47.48 10.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -41.44 64.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -66.04 83.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 p 177.3 150.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.977 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.04 155.65 16.77 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 78.18 2.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.71 90.55 6.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -79.97 -60.79 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.579 1.174 . . . . 0.0 110.974 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -133.69 165.7 24.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.35 133.74 0.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 75.22 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -170.62 163.06 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 p -39.68 116.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -81.13 0.07 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.472 1.108 . . . . 0.0 111.069 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.742 ' HG2' HD11 ' A' ' 120' ' ' LEU . 1.3 tpt -124.34 -57.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.443 0.731 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -60.07 -14.4 16.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.14 -39.12 9.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.17 -44.14 99.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 86' ' ' VAL . 10.4 mt -73.61 -41.3 63.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -60.99 2.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.54 136.35 55.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -114.94 164.29 14.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.015 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.7 OUTLIER -64.97 161.8 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.0 m -129.49 144.43 51.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.432 1.083 . . . . 0.0 110.018 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -43.91 -48.46 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -45.52 -38.96 6.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' ASN . 5.1 m-20 -88.0 -61.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.731 HD13 ' C ' ' A' ' 21' ' ' LEU . 1.2 tm? -40.72 -56.86 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.464 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -56.58 -43.08 79.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t-20 -48.3 -58.72 4.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 66.6 m-85 -68.67 -39.58 80.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.974 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 29' ' ' GLN . 5.2 tt0 -42.33 -29.58 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.09 -66.32 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 41' ' ' THR . 7.9 tttt -40.08 -50.12 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.41 ' O ' HG22 ' A' ' 37' ' ' VAL . 35.1 t80 -59.68 -61.93 2.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 25' ' ' GLU . 29.7 mt-30 -51.05 -64.16 0.9 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -43.37 -54.92 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.4 mm-40 -55.54 -35.0 65.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 29' ' ' GLN . 16.2 tt0 -62.84 -58.47 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.52 -11.71 46.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -71.62 -41.38 68.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.36 -34.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.5 p -179.16 126.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 28' ' ' PHE . 40.0 t -63.87 133.23 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -72.03 154.55 41.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.051 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -55.91 -40.23 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -58.99 -63.84 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.071 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 27' ' ' LYS . 39.8 m -56.63 -21.24 25.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HB3' HD11 ' A' ' 68' ' ' LEU . 26.3 tt0 -74.0 -60.51 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB2' HD13 ' A' ' 68' ' ' LEU . 44.1 t80 -60.89 -30.56 70.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 1.068 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 32.5 mt-10 -64.28 -81.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.797 ' O ' HD22 ' A' ' 49' ' ' LEU . 73.5 t80 -45.06 -36.43 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.687 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -63.09 -41.02 99.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.847 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 27.1 t-105 -62.47 -34.58 77.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.016 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.676 ' SG ' HG21 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -58.35 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.327 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.797 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -37.68 -55.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.924 HG13 ' HA3' ' A' ' 61' ' ' GLY . 25.8 m -68.75 59.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.4 mtp180 -177.36 -37.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 1.015 ' HA ' HG12 ' A' ' 16' ' ' VAL . 42.1 t -39.8 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -70.07 -8.2 47.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 53' ' ' LYS . 13.0 m-85 -101.01 179.58 4.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -118.54 -48.37 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.61 -30.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' ILE . 28.7 m-20 -78.8 -47.2 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 91' ' ' LEU . 61.7 mt -36.8 -48.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.85 ' O ' HG13 ' A' ' 63' ' ' VAL . 2.5 mtt-85 -39.47 -53.08 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ILE . 3.3 mpt_? -50.05 -66.38 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.924 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -39.03 -26.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.776 HG22 ' CD ' ' A' ' 66' ' ' GLU . 37.1 mt -86.68 -55.38 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG13 ' O ' ' A' ' 59' ' ' ARG . 1.2 m -49.79 -52.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.847 HD23 HG23 ' A' ' 63' ' ' VAL . 9.3 mt -55.95 -66.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -48.47 -44.22 35.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.776 ' CD ' HG22 ' A' ' 62' ' ' ILE . 44.1 mt-10 -56.96 -20.68 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.97 -30.15 15.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.618 HD12 HD12 ' A' ' 65' ' ' LEU . 19.3 mt -79.96 -24.94 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -42.36 -62.98 1.01 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.397 1.061 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.57 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.4 Cg_endo -74.97 -19.32 18.02 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -103.76 51.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.36 168.31 33.62 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -169.77 0.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 0.778 . . . . 0.0 109.936 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -77.74 -62.05 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -61.38 -18.76 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.343 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.09 -31.47 55.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 42.6 mt-30 -68.99 -22.54 64.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.8 -42.31 77.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.92 -27.01 63.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 83' ' ' TYR . 15.2 m-30 -69.63 -76.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.824 HG13 ' CD1' ' A' ' 100' ' ' TYR . 39.1 t -36.88 -49.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -43.77 -40.0 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.847 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.0 m-30 -81.97 -47.75 12.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' A' ' 65' ' ' LEU . 10.0 mp -43.9 -42.57 5.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -69.43 -48.52 60.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 12' ' ' LEU . 2.6 t -50.45 -54.35 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.422 ' O ' HD13 ' A' ' 91' ' ' LEU . . . -62.8 -52.18 50.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -53.02 -53.72 45.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.777 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.76 -46.32 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -54.23 -33.61 58.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.768 ' CD1' HG21 ' A' ' 58' ' ' ILE . 9.3 mp -85.97 9.37 17.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 0.1 OUTLIER 68.77 9.01 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.377 1.048 . . . . 0.0 109.239 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -76.92 54.54 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 7.8 m-30 -47.98 -48.06 32.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -42.27 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -51.81 -51.25 57.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -42.95 -69.71 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 2.9 mt -48.11 -62.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 98' ' ' LEU . 4.1 ttmm -37.82 -32.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.824 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -90.09 -40.87 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.578 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -66.84 -52.13 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 3.1 mmm180 -57.9 -30.49 65.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.19 -12.64 75.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -93.1 -45.22 8.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.783 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.8 mm? -54.39 -29.74 49.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -54.9 23.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.394 1.058 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 108' ' ' GLU . 0.6 OUTLIER -84.79 -8.37 58.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 107' ' ' THR . 31.0 mm-40 -141.74 65.97 21.22 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.458 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.4 Cg_endo -74.96 -24.29 13.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -80.95 -35.43 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -49.32 120.74 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 115' ' ' LYS . 33.5 m-80 -74.92 -52.56 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -41.5 -48.05 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.783 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -65.44 -39.78 92.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mttt -61.81 -56.88 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -47.62 -60.34 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.254 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 120' ' ' LEU . 8.9 tp -42.44 -61.91 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.9 tm-20 -43.74 -38.46 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -77.57 -38.22 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.234 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.742 HD11 ' HG2' ' A' ' 8' ' ' MET . 55.1 mt -57.27 -55.15 38.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -57.27 -47.52 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -46.64 -36.05 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.67 -49.94 9.89 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -42.29 -40.66 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.573 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.5 mtt -59.85 -61.96 2.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -77.13 56.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -145.46 -56.18 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.26 122.25 1.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -162.68 169.96 38.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.97 25.96 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.469 1.773 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.8 m -72.53 127.32 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.995 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.51 148.03 25.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.88 170.53 9.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 0.807 . . . . 0.0 110.027 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -177.46 158.76 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.91 72.42 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.612 1.195 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m 173.23 174.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m -40.58 113.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 110.056 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.78 -81.0 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.557 1.16 . . . . 0.0 111.047 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.639 ' HG2' HD11 ' A' ' 120' ' ' LEU . 0.3 OUTLIER -118.12 -36.24 3.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 0.737 . . . . 0.0 110.989 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.39 -15.7 61.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.83 -53.02 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 8' ' ' MET . 7.6 p -55.32 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 13.6 mt -63.56 -12.64 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.15 -76.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.46 136.93 12.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.583 HD22 ' CB ' ' A' ' 53' ' ' LYS . 3.8 pp -116.05 159.36 21.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.638 HG11 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -76.8 148.49 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -112.03 155.27 24.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -50.36 -41.39 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.71 -63.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LEU . 8.6 m-20 -65.73 -52.26 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -40.48 -47.95 2.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -66.4 -52.98 41.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.98 -36.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 27.5 m-85 -88.88 -57.09 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 17.2 tt0 -46.99 -30.91 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -68.28 -43.47 77.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -63.54 -46.46 85.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 37' ' ' VAL . 59.6 t80 -57.46 -40.46 78.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -69.96 -62.73 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -48.77 -54.34 15.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.953 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 5.6 mm-40 -50.96 -35.67 34.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.255 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.67 -58.68 6.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.51 -11.03 50.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 31' ' ' GLU . . . -73.7 -34.09 64.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.26 -31.89 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.062 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m 171.85 135.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 31' ' ' GLU . 14.2 t -76.47 142.85 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.8 m -93.57 148.97 21.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -45.44 -49.9 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.99 -61.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.068 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.4 m -62.13 -35.57 79.15 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.44 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 68' ' ' LEU . 28.2 tt0 -56.05 -68.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.0 t80 -54.92 -30.75 59.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 31.7 mt-10 -64.02 -82.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HD21 ' A' ' 49' ' ' LEU . 26.7 t80 -39.27 -45.58 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.053 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -60.93 -44.99 96.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.857 ' CE3' ' CD2' ' A' ' 83' ' ' TYR . 13.4 t-105 -55.87 -37.16 68.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 108.018 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.633 ' SG ' HG21 ' A' ' 16' ' ' VAL . 1.2 m -62.63 -56.55 16.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 108.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -40.13 -51.83 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.588 HG13 ' HA3' ' A' ' 61' ' ' GLY . 27.5 m -72.95 56.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 HH21 HG23 ' A' ' 16' ' ' VAL . 5.6 mtp180 -172.66 -39.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.56 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.3 t -42.08 160.93 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' CB ' HD22 ' A' ' 15' ' ' LEU . 2.2 pttt -74.19 -10.77 59.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' LYS . 34.4 m-85 -94.96 160.42 14.59 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 m120 -98.08 -43.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.96 -31.82 8.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 60' ' ' ARG . 63.4 m-20 -73.2 -57.05 4.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 90' ' ' ARG . 69.2 mt -32.49 -54.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.564 1.165 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -45.88 -53.47 9.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 57' ' ' ASP . 2.6 mpt_? -53.25 -34.06 55.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.588 ' HA3' HG13 ' A' ' 50' ' ' VAL . . . -73.27 -3.77 62.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.569 HG22 ' OE1' ' A' ' 66' ' ' GLU . 45.4 mt -94.86 -68.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.421 0.718 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG13 ' H ' ' A' ' 64' ' ' LEU . 1.5 p -28.61 -63.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD12 ' HB2' ' A' ' 46' ' ' ALA . 1.4 mt -51.78 -57.6 8.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD21 ' CB ' ' A' ' 83' ' ' TYR . 0.3 OUTLIER -51.76 -46.8 64.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 109.255 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.569 ' OE1' HG22 ' A' ' 62' ' ' ILE . 65.1 mt-10 -70.6 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' VAL . 2.1 mt-10 -89.84 -34.47 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.854 HD11 ' HG2' ' A' ' 42' ' ' GLN . 3.6 mt -82.95 -15.05 52.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -52.74 -61.93 4.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -23.67 13.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -91.86 22.35 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.58 -174.07 45.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.556 1.16 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -106.61 -58.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.053 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.92 -69.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 78' ' ' ARG . 35.5 mt-10 -76.73 -5.04 46.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.44 -21.61 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -70.91 -24.86 62.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' CZ ' ' HG2' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -72.72 -32.56 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.07 -15.76 56.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.461 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 16.5 m-30 -83.98 -74.04 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.885 HG13 ' CD1' ' A' ' 100' ' ' TYR . 41.0 t -36.38 -55.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -37.78 -44.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.857 ' CD2' ' CE3' ' A' ' 47' ' ' TRP . 11.2 m-30 -78.29 -48.44 15.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD22 ' CZ ' ' A' ' 100' ' ' TYR . 6.6 mp -47.15 -33.24 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -79.1 -35.89 41.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 12' ' ' LEU . 2.4 t -65.48 -45.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.91 -49.56 34.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 2.8 m-80 -56.06 -49.41 73.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -50.35 -47.72 55.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.625 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.05 -30.99 39.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 7.1 mt -93.1 23.22 4.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 91' ' ' LEU . 28.1 pttt 52.07 22.41 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -85.35 45.88 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.714 ' CD1' HG23 ' A' ' 121' ' ' ILE . 12.7 m-85 -40.25 -49.71 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' TYR . 62.9 mt-10 -38.72 -73.07 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 97' ' ' ALA . 16.9 mttt -56.63 -51.5 68.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -38.91 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD2' ' HD3' ' A' ' 102' ' ' ARG . 4.0 mt -49.39 -62.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -37.56 -32.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.885 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -88.98 -43.02 11.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.56 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -64.87 -47.51 88.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.518 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 7.6 mmm180 -62.12 -29.21 70.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.26 0.72 85.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.72 -50.15 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.795 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.9 mm? -48.63 -27.17 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.06 -67.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -1.03 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 105' ' ' LEU . 10.7 mt-10 -140.52 62.68 19.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 17.9 Cg_endo -75.13 -27.63 9.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.793 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 111' ' ' ASN . 13.3 pt20 -79.03 -36.19 41.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' N ' ' HG3' ' A' ' 110' ' ' GLN . 41.4 t-20 -44.83 111.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 115' ' ' LYS . 7.3 m-20 -67.78 -56.36 9.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.414 ' O ' ' SD ' ' A' ' 8' ' ' MET . 5.3 mt-30 -38.67 -51.44 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.795 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -61.22 -44.85 96.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ASN . 5.0 mtpt -53.34 -54.41 36.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 119' ' ' ARG . 3.2 mm-40 -50.0 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.841 HD22 ' CD1' ' A' ' 121' ' ' ILE . 0.1 OUTLIER -40.48 -61.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 3.0 tm-20 -45.46 -36.74 4.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -80.33 -35.35 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 8' ' ' MET . 40.1 mt -59.86 -65.74 0.63 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.841 ' CD1' HD22 ' A' ' 117' ' ' LEU . 3.3 mt -48.36 -25.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 7.6 t0 -55.11 -45.54 75.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -86.49 -40.42 15.31 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -40.14 -36.47 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.483 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.5 OUTLIER -73.83 -53.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 46.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.73 129.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.265 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p -149.07 153.65 38.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -114.79 169.13 12.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 88.88 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.3 p -126.28 134.46 51.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.933 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -132.36 -58.44 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.423 1.077 . . . . 0.0 110.953 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 81.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 p -108.19 96.95 6.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.925 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.32 98.89 0.12 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.7 -70.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 0.778 . . . . 0.0 109.941 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 m -41.48 126.36 2.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.67 -131.02 6.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.408 ' SD ' ' O ' ' A' ' 113' ' ' GLN . 8.5 tpt -109.46 -45.61 3.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.559 0.8 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -60.59 -13.73 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.47 -51.9 5.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.0 t -45.63 -52.32 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.808 HD13 HG22 ' A' ' 86' ' ' VAL . 7.0 tp -61.7 -46.13 91.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -67.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.41 122.06 3.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 53' ' ' LYS . 17.8 mt -96.49 141.01 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.236 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.888 HG12 ' HA ' ' A' ' 52' ' ' SER . 2.9 p -61.04 147.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -88.77 135.26 33.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.38 -49.7 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.09 -53.41 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.94 -43.25 68.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 49' ' ' LEU . 1.8 tm? -48.2 -51.65 24.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -66.92 -51.11 59.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -48.93 -48.15 43.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 44' ' ' GLU . 3.3 m-85 -73.08 -44.2 60.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 45' ' ' TYR . 8.3 tt0 -58.15 -46.84 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.513 ' O ' ' CB ' ' A' ' 30' ' ' SER . 2.3 ttm-85 -64.69 -40.47 95.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -50.3 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 32' ' ' GLN . 28.3 t80 -62.69 -58.69 6.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -56.29 -54.76 41.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.791 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.6 t -48.79 -33.46 10.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.627 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 7.6 mm-40 -89.61 -23.32 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.3 tt0 -74.83 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -16.94 64.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.791 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -64.07 -28.56 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.17 -14.51 4.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 170.63 140.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.627 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.2 p -130.32 151.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 m -68.38 173.16 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -75.64 -52.04 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -37.0 -69.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -46.66 -45.81 19.49 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG2' HD11 ' A' ' 68' ' ' LEU . 42.6 tt0 -59.47 -58.53 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.769 ' HB2' HD13 ' A' ' 68' ' ' LEU . 4.4 t80 -56.83 -49.44 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mt-10 -44.28 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 1.077 ' CE2' HD21 ' A' ' 49' ' ' LEU . 42.3 t80 -41.51 -46.82 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -49.7 -38.33 32.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.802 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 18.7 t-105 -74.61 -31.57 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' SG ' ' CD2' ' A' ' 24' ' ' PHE . 72.0 m -59.98 -60.93 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.288 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.077 HD21 ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -39.13 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 47' ' ' TRP . 8.6 m -43.32 -47.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.372 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' CD ' ' CE2' ' A' ' 47' ' ' TRP . 22.9 mtp85 -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.888 ' HA ' HG12 ' A' ' 16' ' ' VAL . 2.9 t -49.2 178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -97.89 -27.38 14.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -67.47 163.92 19.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 58' ' ' ILE . 4.4 p-10 -102.94 -37.36 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -15.7 13.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.1 m-20 -92.08 -46.53 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' ' 90' ' ' ARG . 73.5 mt -41.62 -36.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.847 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.5 mtt85 -60.53 -45.06 95.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -52.21 -65.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 0.0 110.357 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 46' ' ' ALA . . . -43.24 -49.01 6.72 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.401 1.063 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.745 HG22 ' OE2' ' A' ' 66' ' ' GLU . 37.8 mt -58.54 -45.47 90.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 59' ' ' ARG . 95.7 t -55.1 -52.34 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.865 HD12 ' HB2' ' A' ' 46' ' ' ALA . 2.4 mt -65.93 -53.7 35.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.211 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.677 HD13 ' HB1' ' A' ' 46' ' ' ALA . 3.9 mp -51.88 -42.34 62.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.808 ' HG3' HD21 ' A' ' 84' ' ' LEU . 31.5 mt-10 -73.36 -3.36 26.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.3 mt-10 -112.73 -18.52 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD13 ' HB2' ' A' ' 43' ' ' PHE . 61.7 mt -91.28 -22.72 20.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -40.22 -59.03 2.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.97 -28.74 8.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -90.76 39.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.52 142.14 16.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -67.72 -61.39 1.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.29 -63.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 78' ' ' ARG . 2.0 pt-20 -71.94 -8.97 57.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -83.25 -37.99 22.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 5.8 mt-30 -57.34 -28.92 63.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 75' ' ' GLU . 0.1 OUTLIER -63.01 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.535 ' HB3' ' CE1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.86 -23.43 39.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 68' ' ' LEU . 10.8 m-30 -73.55 -64.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.787 HG13 ' CD1' ' A' ' 100' ' ' TYR . 67.6 t -48.79 -61.45 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' VAL . 5.0 t80 -35.51 -65.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.069 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.877 ' HA ' HG12 ' A' ' 86' ' ' VAL . 22.0 m-30 -57.37 -42.25 81.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.019 HD13 ' CZ ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -54.15 -20.38 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -94.01 -54.96 3.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.877 HG12 ' HA ' ' A' ' 83' ' ' TYR . 4.0 p -57.25 -37.06 54.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' ILE . . . -71.55 -50.38 20.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 4.1 m-80 -60.08 -49.41 77.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.696 ' CE1' HD21 ' A' ' 12' ' ' LEU . 1.1 t80 -45.9 -45.86 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.763 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -52.23 -28.44 18.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.709 HD11 HG22 ' A' ' 58' ' ' ILE . 1.3 mt -95.46 20.28 9.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.467 ' HA ' ' CE1' ' A' ' 94' ' ' TYR . 38.9 mttt 64.46 23.53 12.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.399 1.062 . . . . 0.0 109.253 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 13.8 mm-40 -94.78 76.21 3.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 2.4 m-85 -72.69 -43.13 63.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.62 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -51.17 -39.71 57.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 93' ' ' GLU . . . -55.32 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 121' ' ' ILE . 3.6 mm? -46.66 -60.73 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' LEU . 12.3 mttt -37.06 -37.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.019 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -86.84 -41.45 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 102' ' ' ARG . 1.1 t -63.21 -52.61 56.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 101' ' ' VAL . 11.3 mmm180 -59.34 -31.44 69.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 2.32 87.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD13 ' C ' ' A' ' 104' ' ' LEU . 2.0 tm? -114.81 -43.42 3.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.984 ' CD2' ' HB1' ' A' ' 114' ' ' ALA . 3.5 mm? -52.71 -21.44 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -55.25 33.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 108' ' ' GLU . 1.7 t -84.04 -3.8 58.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 107' ' ' THR . 52.3 mt-10 -151.25 64.57 6.2 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 18.3 Cg_endo -75.02 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.23 -23.35 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -57.24 121.56 10.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -72.34 -49.29 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 8' ' ' MET . 2.9 mt-30 -38.8 -45.8 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.984 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -75.8 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' HD11 ' A' ' 105' ' ' LEU . 17.3 mttt -40.7 -67.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 117' ' ' LEU . 10.3 mm-40 -40.43 -63.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.596 ' HA ' HD12 ' A' ' 120' ' ' LEU . 15.2 tp -39.99 -64.16 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.7 tm-20 -38.46 -52.12 1.57 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.02 -36.99 80.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 117' ' ' LEU . 88.7 mt -56.36 -48.14 77.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.578 HG21 HD23 ' A' ' 98' ' ' LEU . 3.4 mt -61.65 -38.17 79.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -49.95 -47.33 52.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -65.53 -49.27 69.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -44.01 -61.01 1.6 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 1.4 mtt -43.94 -54.67 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.072 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -47.09 86.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -52.97 -52.1 59.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.18 134.47 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.924 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -111.51 150.02 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 111.042 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.62 5.34 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.14 128.1 35.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 m 65.11 170.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.71 112.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -107.07 -57.09 2.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.64 131.3 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.546 1.154 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.7 108.72 10.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p 175.53 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 110.044 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -70.65 0.07 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.618 1.199 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.447 ' HA ' HG12 ' A' ' 11' ' ' VAL . 8.6 tpt -108.75 -36.68 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.37 -16.23 58.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 -50.09 6.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 12' ' ' LEU . 7.3 p -54.23 -54.68 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 11' ' ' VAL . 4.9 tp -62.37 -13.64 31.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.599 1.187 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.59 -80.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.01 160.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 53' ' ' LYS . 13.2 mt -126.91 -178.82 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 52' ' ' SER . 0.8 OUTLIER -86.62 163.12 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -120.64 136.83 54.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -52.71 -52.12 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -42.37 -34.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -90.36 -63.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.218 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.995 HD12 ' HB3' ' A' ' 48' ' ' CYS . 0.8 OUTLIER -42.05 -50.54 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.3 -42.87 92.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' ASP . 1.1 t30 -57.75 -36.7 72.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -82.06 -53.07 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -44.92 -48.0 11.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -41.07 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -54.63 33.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.693 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.5 t80 -48.64 -46.49 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' O ' ' CB ' ' A' ' 32' ' ' GLN . 86.5 mt-30 -65.4 -61.83 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -67.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -42.82 -32.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' GLN . 4.8 tt0 -63.99 -61.06 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.06 -9.77 54.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.45 54.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.78 -34.81 0.5 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.3 p -171.39 154.58 3.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.693 HG11 ' CD1' ' A' ' 28' ' ' PHE . 43.9 t -103.75 128.85 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.205 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 m -67.85 144.68 55.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -50.89 -51.09 55.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -46.5 -55.53 7.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.4 m -53.8 -38.26 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.804 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.2 tt0 -65.99 -67.28 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' HD13 ' A' ' 68' ' ' LEU . 15.8 t80 -53.55 -36.6 62.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -61.52 -72.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.918 ' O ' HD22 ' A' ' 49' ' ' LEU . 24.4 t80 -52.62 -29.5 26.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -66.96 -38.69 86.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.811 ' CZ3' ' CD1' ' A' ' 83' ' ' TYR . 42.2 t-105 -69.8 -28.81 66.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.995 ' HB3' HD12 ' A' ' 21' ' ' LEU . 78.1 m -59.64 -62.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.918 HD22 ' O ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -36.48 -68.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 47' ' ' TRP . 16.9 m -49.25 -44.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.573 ' HD3' ' CZ2' ' A' ' 47' ' ' TRP . 8.9 mmm180 -62.61 -21.18 65.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.829 ' HA ' HG12 ' A' ' 16' ' ' VAL . 5.6 t -66.66 -166.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.754 ' HB3' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -113.81 -14.37 12.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -78.65 134.95 37.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.976 ' HA ' HD12 ' A' ' 58' ' ' ILE . 71.3 m-80 -73.15 -46.36 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -54.1 -19.14 4.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.1 m-20 -87.74 -42.33 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.976 HD12 ' HA ' ' A' ' 55' ' ' ASN . 43.0 mt -48.6 -31.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 62' ' ' ILE . 8.7 ttm180 -74.08 -29.44 61.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.848 ' O ' HG12 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -62.94 -69.13 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.877 ' O ' HD22 ' A' ' 65' ' ' LEU . . . -37.74 -29.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.609 HG23 ' HG3' ' A' ' 66' ' ' GLU . 85.2 mt -71.47 -69.56 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 60' ' ' ARG . 11.2 p -35.75 -36.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.676 HD23 HG13 ' A' ' 63' ' ' VAL . 6.6 mt -81.51 -59.52 2.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -51.43 -45.69 62.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG3' HG23 ' A' ' 62' ' ' ILE . 15.6 mt-10 -64.54 -12.52 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HD2' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -98.08 -34.38 10.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.26 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.804 HD21 ' HB3' ' A' ' 42' ' ' GLN . 1.1 mt -80.2 -22.64 41.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.719 HD23 ' HG2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -61.13 -60.66 9.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -74.96 -6.18 17.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -124.42 29.52 6.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.62 -156.84 9.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.83 172.78 6.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 0.741 . . . . 0.0 110.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -74.83 -60.28 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.34 -10.33 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.97 -21.37 19.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.719 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.4 mt-30 -68.6 -28.13 66.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.818 ' NH1' HG21 ' A' ' 107' ' ' THR . 0.9 OUTLIER -66.09 -18.24 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.23 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.71 -24.91 20.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' TYR . 18.3 m-30 -77.67 -70.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.804 HG13 ' CD1' ' A' ' 100' ' ' TYR . 58.8 t -33.64 -53.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 113' ' ' GLN . 17.2 t80 -37.71 -45.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.811 ' CD1' ' CZ3' ' A' ' 47' ' ' TRP . 11.2 m-30 -75.38 -53.63 8.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 65' ' ' LEU . 8.7 mp -39.58 -41.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.371 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 97' ' ' ALA . . . -70.73 -50.23 38.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' TYR . 3.1 t -50.03 -52.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.61 -52.63 44.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -51.64 -50.45 60.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.325 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.463 ' CE2' HD21 ' A' ' 12' ' ' LEU . 9.7 t80 -51.53 -46.37 63.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.687 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 tmt_? -52.74 -39.0 61.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.8 mt -84.36 7.73 18.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? 70.22 21.37 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -83.23 49.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 125' ' ' MET . 11.1 m-30 -42.6 -56.87 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -38.57 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -50.23 -49.01 54.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . -45.71 -67.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.499 HD12 ' HD3' ' A' ' 102' ' ' ARG . 1.0 OUTLIER -51.01 -60.01 3.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -39.89 -29.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -93.44 -38.94 11.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.472 HG12 HD13 ' A' ' 98' ' ' LEU . 1.2 t -70.33 -25.54 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.499 ' HD3' HD12 ' A' ' 98' ' ' LEU . 3.7 mmm180 -74.21 -55.53 5.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.15 -28.07 68.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 78' ' ' ARG . 2.9 tm? -75.86 -40.06 55.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 108' ' ' GLU . 7.4 mt -70.88 -30.61 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -50.68 62.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.818 HG21 ' NH1' ' A' ' 78' ' ' ARG . 10.2 t -92.65 -4.83 52.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.762 ' HG2' HG23 ' A' ' 107' ' ' THR . 40.3 mm-40 -141.14 65.15 21.7 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.56 16.73 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -81.65 -31.35 32.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.74 107.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -69.45 -39.74 77.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . 17.3 mt-30 -42.06 -38.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -78.83 -48.06 15.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' ALA . 36.6 mttt -39.74 -64.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.436 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.1 OUTLIER -47.27 -58.42 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 110.327 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.944 HD22 HD11 ' A' ' 121' ' ' ILE . 0.7 OUTLIER -38.47 -61.06 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' LEU . 5.9 tm-20 -37.91 -58.23 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.394 1.059 . . . . 0.0 110.242 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -64.18 -41.37 97.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 117' ' ' LEU . 26.8 mt -54.25 -54.33 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.944 HD11 HD22 ' A' ' 117' ' ' LEU . 3.7 mt -67.98 -30.6 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.11 -46.86 87.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -68.62 -45.05 72.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.087 . . . . 0.0 109.323 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -49.8 -41.89 45.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 0.3 OUTLIER -61.21 -42.66 98.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.83 25.71 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -115.42 -67.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.5 t 55.92 99.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -145.87 -156.52 6.91 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.04 7.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.749 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.3 p -49.05 -24.75 1.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.8 p -158.82 85.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.158 . . . . 0.0 110.964 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 m -114.23 106.78 14.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.52 107.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.56 69.47 1.24 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.45 -52.09 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -136.71 97.73 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.63 -137.83 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 120' ' ' LEU . 4.3 tpt -110.94 -52.6 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 110.927 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.89 -14.63 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.04 -40.77 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.06 -38.06 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 12' ' ' LEU . 12.7 mt -78.51 -39.06 39.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.9 -38.1 87.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.78 130.65 35.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 53' ' ' LYS . 3.8 pp -116.63 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -90.86 175.62 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.641 ' N ' HG13 ' A' ' 16' ' ' VAL . 4.4 m -120.09 147.94 44.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.076 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.5 t -49.9 -45.82 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.5 -53.82 53.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.63 -55.1 38.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -47.68 -44.43 27.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -54.29 21.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.375 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -43.48 -30.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' ARG . 4.5 m-85 -94.34 -55.72 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 12.7 tt0 -42.9 -27.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -79.0 -51.63 9.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -51.14 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CD2' ' CD2' ' A' ' 45' ' ' TYR . 34.3 t80 -62.7 -67.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -47.35 -50.33 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.651 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 37.9 t -50.64 -34.99 28.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.614 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . 55.7 mm-40 -90.49 -23.59 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' PHE . 15.3 tt0 -73.79 -59.52 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.2 -12.86 58.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 30' ' ' SER . . . -69.22 -25.49 64.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.24 -17.86 5.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.2 p 178.28 142.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.614 ' HB ' ' CB ' ' A' ' 31' ' ' GLU . 2.3 p -136.46 151.14 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.25 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.9 m -70.51 163.21 27.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.876 ' HB2' HD22 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.97 -39.38 76.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.2 p -41.41 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -47.57 -46.52 28.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.674 ' OE1' HD21 ' A' ' 68' ' ' LEU . 59.9 tt0 -52.26 -58.81 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.452 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 9.6 t80 -55.54 -43.45 75.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -58.45 -70.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 28' ' ' PHE . 8.0 t80 -44.51 -39.52 4.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -61.99 -57.5 11.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.064 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.752 ' CE3' ' CG ' ' A' ' 83' ' ' TYR . 39.2 t-105 -56.82 -26.98 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.45 -46.14 67.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 108.243 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' ARG . 22.5 mt -51.97 -66.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG21 ' CE3' ' A' ' 47' ' ' TRP . 9.4 m -41.99 -48.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 52' ' ' SER . 39.1 mtp180 -55.4 -39.01 69.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.7 t -38.8 157.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.791 ' HB3' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.42 -19.79 52.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.98 173.14 10.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' HD12 ' A' ' 58' ' ' ILE . 49.4 m-20 -114.58 -37.07 4.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.87 -23.0 66.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.547 ' HB3' HD22 ' A' ' 49' ' ' LEU . 3.0 m-20 -83.41 -29.07 28.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.67 HD13 ' HB3' ' A' ' 90' ' ' ARG . 94.5 mt -56.69 -57.34 9.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 62' ' ' ILE . 66.7 mtt180 -45.2 -40.58 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.689 ' HB3' HD13 ' A' ' 49' ' ' LEU . 4.0 mpt_? -63.86 -63.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.439 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -39.45 -27.36 0.09 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.531 1.145 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.759 HG22 ' HG3' ' A' ' 66' ' ' GLU . 56.3 mt -74.39 -66.35 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.774 HG23 HD23 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -35.92 -52.62 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD23 HG23 ' A' ' 63' ' ' VAL . 5.6 mt -52.77 -65.37 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.548 ' CB ' HD11 ' A' ' 84' ' ' LEU . 9.9 mt -52.92 -37.47 60.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.759 ' HG3' HG22 ' A' ' 62' ' ' ILE . 3.3 mt-10 -64.47 -19.29 65.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -28.65 16.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.876 HD22 ' HB2' ' A' ' 39' ' ' LYS . 70.0 mt -82.92 -15.22 52.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -53.89 -63.51 2.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.578 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -74.99 -24.38 12.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -95.03 21.26 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -93.3 172.81 33.66 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 m -89.09 -81.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.67 -62.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' O ' ' CD ' ' A' ' 78' ' ' ARG . 2.6 pt-20 -80.45 -1.12 40.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.7 mt-10 -96.38 -18.33 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.216 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.533 ' HA ' ' CD2' ' A' ' 80' ' ' TYR . 0.9 OUTLIER -76.65 -56.51 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' O ' HD21 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.39 -18.24 16.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.596 1.185 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.505 ' N ' ' HD3' ' A' ' 78' ' ' ARG . 2.3 t0 -85.89 -32.29 21.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 77' ' ' GLN . 21.3 m-30 -66.46 -63.43 1.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 ' CD1' ' A' ' 100' ' ' TYR . 90.6 t -37.82 -53.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.371 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' VAL . 18.3 t80 -36.68 -47.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.752 ' CG ' ' CE3' ' A' ' 47' ' ' TRP . 13.4 m-30 -73.5 -47.05 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CZ ' ' A' ' 100' ' ' TYR . 10.8 mp -43.99 -43.33 6.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' A' ' 101' ' ' VAL . . . -68.98 -41.78 77.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 83' ' ' TYR . 2.9 t -56.93 -55.37 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.76 -51.45 55.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 84' ' ' LEU . 30.9 m-20 -54.09 -53.66 50.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -46.64 -47.13 20.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.67 ' HB3' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.83 -32.8 54.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.1 mt -87.97 10.39 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 69.46 27.19 4.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 15.8 mm-40 -93.87 71.54 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.749 ' CE1' ' HB1' ' A' ' 124' ' ' ALA . 6.7 m-85 -70.16 -50.5 39.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -42.87 -55.52 3.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 97' ' ' ALA . 64.8 mmtt -71.48 -58.81 3.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' GLU . . . -39.51 -51.36 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 102' ' ' ARG . 14.5 mt -59.53 -66.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -29.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.851 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -86.62 -41.68 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.613 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.2 t -66.9 -58.2 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.833 ' HD2' HD22 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -54.68 -33.02 60.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.69 -6.3 88.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.661 HD13 ' HB2' ' A' ' 108' ' ' GLU . 2.2 tm? -103.46 -28.73 11.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 0.715 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 101' ' ' VAL . 4.5 mm? -52.48 -22.59 4.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -81.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 108' ' ' GLU . 1.9 t -74.44 -0.56 17.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.661 ' HB2' HD13 ' A' ' 104' ' ' LEU . 5.5 mm-40 -135.85 60.7 37.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 108' ' ' GLU . 18.1 Cg_endo -75.0 -64.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -82.94 6.81 17.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 113' ' ' GLN . 13.5 t30 -57.63 -17.99 17.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLN . 19.0 m-20 65.43 -62.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 111' ' ' ASN . 6.4 mm-40 -34.67 -44.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -77.12 -47.93 19.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' ASN . 0.1 OUTLIER -42.98 -63.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' LEU . 1.1 mt-10 -42.86 -66.07 0.41 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.933 HD22 HD11 ' A' ' 121' ' ' ILE . 1.0 OUTLIER -38.73 -62.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' LEU . 3.8 tt0 -38.55 -59.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -63.16 -42.17 99.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.243 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 95.6 mt -54.04 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.933 HD11 HD22 ' A' ' 117' ' ' LEU . 3.6 mt -53.97 -41.94 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.56 -41.08 13.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -82.52 -41.52 19.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.749 ' HB1' ' CE1' ' A' ' 94' ' ' TYR . . . -41.59 -32.57 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 3.2 mtt -74.03 -46.45 43.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -84.98 7.23 21.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 123' ' ' LYS . 52.4 mttt -101.53 69.13 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.38 91.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.66 -146.37 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.66 22.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.388 1.731 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t -155.56 131.85 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.0 p -116.32 42.42 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.996 . . . . . . . . 0 0 . 1 stop_ save_