data_1wh7_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 1wh7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' CD ' ' CG2' ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.411 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 2.1 p-80 -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HD13 ' CE ' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 58' ' ' THR . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.571 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.522 ' CG ' ' HE3' ' A' ' 73' ' ' LYS . 6.9 t60 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.542 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 69.8 m-80 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HE3' ' CG ' ' A' ' 70' ' ' HIS . 3.4 ptpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 3.2 mm100 -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 43' ' ' ILE . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.461 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.554 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 67' ' ' ILE . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.605 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 31.6 p-80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.45 ' CG ' HG12 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 2.5 mt-30 -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.558 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CD1' ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.578 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.0 p-80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.471 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 63' ' ' GLN . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.506 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 35' ' ' PHE . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.515 ' CE ' ' CD1' ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.58 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.493 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.9 p-80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.58 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 51' ' ' VAL . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.58 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.46 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.468 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 HD11 ' CE ' ' A' ' 69' ' ' MET . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.46 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.445 HD13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ARG . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 HD11 ' CE ' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.438 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 29.6 p-80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' CG2' HG23 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.44 HG13 ' CE ' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ARG . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.484 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.474 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.563 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HD12 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.474 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.563 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.567 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 HG13 ' CE ' ' A' ' 69' ' ' MET . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 61' ' ' ARG . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.59 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.481 ' CE ' HG13 ' A' ' 43' ' ' ILE . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.1 m-80 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 55.4 p-80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.448 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.49 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.438 ' HB2' ' CG1' ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.476 ' HE2' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 70.5 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 65' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' CE ' ' A' ' 69' ' ' MET . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 65' ' ' LEU . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.51 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 64.1 m-80 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CG1' ' HE3' ' A' ' 69' ' ' MET . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.517 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.547 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.498 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.594 ' CE2' ' ND2' ' A' ' 72' ' ' ASN . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 39' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD13 ' CE ' ' A' ' 69' ' ' MET . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.506 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 32' ' ' MET . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 70.2 m-80 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' HD13 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' CE ' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.508 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HE3' ' CG ' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 33' ' ' LEU . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CE2' HD22 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 HD12 ' CE ' ' A' ' 69' ' ' MET . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.608 ' CD1' ' OG1' ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.608 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.79 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.81 132.49 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.81 89.72 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m 61.29 143.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -174.57 148.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.57 -147.35 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t 61.9 94.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -136.09 100.14 10.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.64 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.71 89.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.05 106.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -157.84 169.6 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.11 136.07 2.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.87 119.16 3.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 p -104.87 162.98 12.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.55 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 18' ' ' LYS . 5.3 pttt -166.6 56.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -153.61 161.85 41.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.04 115.18 27.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.65 112.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 22.8 p -105.01 145.71 30.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.11 118.67 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.472 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 38.2 m-85 -127.43 168.8 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -103.37 154.95 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' CD ' ' CG2' ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.445 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.411 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.486 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -45.67 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -44.28 105.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -58.71 -70.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.35 155.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -145.67 134.41 22.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 158.3 29.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -166.83 132.7 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.031 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -152.64 166.37 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 141.62 4.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 167.88 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 109.947 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -152.43 139.41 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.74 117.22 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m 57.1 106.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -114.73 97.41 47.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -52.78 154.32 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -164.52 95.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -124.01 -59.27 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.47 116.46 3.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.07 129.63 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -115.25 162.91 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.67 148.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.21 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 136.02 30.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.46 147.71 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.69 126.69 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 11.7 p -81.12 148.1 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.22 122.12 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.405 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 33.5 m-85 -132.44 159.87 38.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -90.25 152.65 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 2.1 p-80 -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt -44.98 166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -41.21 103.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -74.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.39 97.42 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.564 1.823 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 80.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.09 118.93 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 61.99 117.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -138.58 101.8 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.24 -146.01 32.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.61 -58.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.85 169.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 -139.46 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.92 79.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -118.77 100.91 50.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.31 32.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.1 100.63 3.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 p -167.79 121.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.96 163.59 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.39 -141.95 4.1 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.9 170.28 12.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 p -81.29 163.03 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -169.36 -69.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 17' ' ' THR . 0.3 OUTLIER -169.05 -164.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -93.13 63.85 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.61 103.22 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -154.4 144.74 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 11.9 p -137.2 149.53 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 122.11 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 24.9 m-85 -128.03 175.06 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -108.42 153.51 23.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HD13 ' CE ' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' HG21 ' A' ' 58' ' ' THR . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.571 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.522 ' CG ' ' HE3' ' A' ' 73' ' ' LYS . 6.9 t60 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.542 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 69.8 m-80 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HE3' ' CG ' ' A' ' 70' ' ' HIS . 3.4 ptpt -108.89 150.01 28.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 58.32 90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -75.21 -74.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.39 156.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.26 26.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 -60.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 t -144.17 155.1 43.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.9 79.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -66.2 113.13 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -125.66 3.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.09 81.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 166.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 92.52 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 121.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.49 99.78 11.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.04 25.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -169.71 148.87 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -168.22 139.36 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.95 162.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.08 145.45 4.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.5 -173.83 10.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -112.1 163.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -158.33 -175.02 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 17' ' ' THR . 0.1 OUTLIER 69.72 133.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -37.05 154.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -68.21 133.63 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.79 -173.62 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 2.7 p -51.9 150.84 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -125.23 122.08 35.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 24.3 m-85 -121.76 172.33 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -101.15 151.82 21.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.554 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 3.2 mm100 -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 43' ' ' ILE . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 31' ' ' LYS . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.461 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.503 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.554 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 67' ' ' ILE . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -42.15 -43.2 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -176.04 148.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -76.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.38 -173.88 13.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.57 3.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 m -154.18 103.17 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -41.46 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.04 -58.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 41.87 79.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 171.93 14.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -90.37 151.12 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -131.83 114.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.61 -64.01 4.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -75.37 91.87 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -89.46 125.1 62.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.16 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.32 110.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -121.0 92.39 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.6 p -139.31 151.07 46.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.45 -133.18 2.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.01 178.02 44.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -84.61 163.0 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.97 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -171.11 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -128.44 111.18 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -103.62 116.16 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 6.7 ttm105 -170.06 111.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.1 p -138.05 146.54 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -125.2 121.99 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 20.2 m-85 -128.39 176.48 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.48 152.73 22.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CD2' HD12 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.551 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.551 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 HD11 ' CE ' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 31.6 p-80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG12 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' CG ' HG12 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -51.06 168.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.29 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.42 -77.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.94 -146.08 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -36.71 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -90.66 141.14 29.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 p -79.37 -58.52 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.47 103.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.74 167.5 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 -96.7 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 161.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -45.04 110.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.75 -96.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 125.34 35.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.8 114.5 48.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -89.73 153.45 20.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.7 p -107.99 84.78 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.2 89.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -164.2 17.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.46 94.25 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -96.71 162.87 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.17 122.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -50.84 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -66.51 162.96 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -104.51 115.22 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.68 135.4 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.519 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 p -137.88 144.73 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -125.32 122.36 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 20.9 m-85 -134.96 167.55 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -94.16 154.58 17.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 2.5 mt-30 -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.558 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CD1' ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.578 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.0 p-80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.471 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 63' ' ' GLN . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.506 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD13 ' CD2' ' A' ' 35' ' ' PHE . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.558 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.515 ' CE ' ' CD1' ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -51.57 142.39 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.86 152.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -129.53 -166.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -36.47 154.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -132.57 -66.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -101.45 152.66 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -167.69 148.53 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.54 162.65 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.11 -70.94 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -73.65 158.14 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.4 89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.08 -97.43 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 172.78 101.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -78.7 126.32 82.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 12' ' ' SER . 18.2 Cg_endo -75.04 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.0 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -89.24 112.9 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -95.46 159.45 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.44 142.12 9.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -87.24 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 17' ' ' THR . 51.7 m -68.89 163.01 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 16' ' ' THR . 0.7 OUTLIER -168.28 127.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -40.69 -55.13 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.93 98.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -78.04 124.95 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -113.23 156.1 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.8 p -40.91 144.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 121.4 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 23.5 m-85 -129.11 174.61 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t -100.55 153.47 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.58 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.493 ' CE3' ' HB2' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 HD11 ' CE ' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.9 p-80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.58 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 51' ' ' VAL . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ARG . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.58 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -48.46 126.54 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -42.18 105.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.46 -171.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.91 -172.74 20.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 m 50.27 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 157.03 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 65.84 80.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.0 138.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 163.51 12.45 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 7' ' ' GLY . 24.7 p -153.18 149.0 27.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -60.92 -162.7 0.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.84 79.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -131.07 133.55 24.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 166.78 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -55.68 154.78 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -175.1 168.42 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.56 123.72 2.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.138 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.3 -136.27 5.03 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -75.99 163.02 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.75 155.28 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -83.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -62.6 128.57 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.13 160.43 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 167.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 60.0 p -93.85 136.51 34.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 116.63 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 25.1 m-85 -117.04 176.55 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.82 153.77 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.46 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.468 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 HD11 ' CE ' ' A' ' 69' ' ' MET . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.483 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.46 ' CD1' ' HE2' ' A' ' 32' ' ' MET . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -44.59 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 41.42 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.07 -172.79 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.57 127.78 3.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.6 6.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -115.11 120.05 38.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p 43.68 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.82 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.956 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.4 p 69.07 169.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.2 108.49 1.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -146.64 -48.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.37 153.81 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.72 -76.22 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.92 89.17 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -131.86 136.1 27.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.66 10.93 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 p -57.75 -54.33 48.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.34 150.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.4 p -96.95 -58.02 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.33 -104.5 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.59 -113.96 0.79 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -78.41 162.67 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.769 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.96 109.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.56 -173.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 65.86 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -118.05 134.79 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -57.49 104.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.555 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.8 p -87.76 146.3 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -125.29 121.65 34.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 19.3 m-85 -124.44 171.27 10.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -99.66 149.7 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.406 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 HD13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ARG . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.496 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -51.32 134.32 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 59.46 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.05 152.95 20.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 69.77 5.4 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -110.89 101.65 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -90.62 143.36 26.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -143.38 158.37 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -109.05 137.23 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.88 -118.36 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.74 121.98 27.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.79 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.34 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.81 109.13 54.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -102.18 147.6 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -57.39 -57.96 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -87.08 -58.68 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.12 -126.34 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -65.72 3.01 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -72.01 163.06 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -168.91 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.471 ' HG2' ' CG2' ' A' ' 17' ' ' THR . 0.1 OUTLIER -179.1 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -83.09 107.53 15.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.9 154.04 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.36 96.61 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.558 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.5 p -152.49 140.42 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -125.25 121.19 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.558 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.1 m-85 -122.95 176.5 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t -108.89 155.13 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.441 ' CE3' ' HB3' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 HD11 ' CE ' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.438 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 29.6 p-80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' CG2' HG23 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.519 ' CH2' ' HB3' ' A' ' 32' ' ' MET . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -47.51 -40.05 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.07 121.99 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -72.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -37.4 126.53 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 t 63.9 170.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.23 -91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -80.87 149.88 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.31 -58.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.73 -136.93 13.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.37 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.13 142.23 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.15 -156.16 21.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 82.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -123.4 101.01 38.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -172.26 -57.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -166.78 144.47 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 t -105.04 -59.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.08 118.1 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.53 -92.94 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 163.01 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.87 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -119.46 43.98 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.01 167.52 21.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.02 108.02 19.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 90.3 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.524 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 74.5 p -37.6 144.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -125.16 117.64 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 37.7 m-85 -123.42 173.68 7.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -109.25 157.64 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.44 HG13 ' CE ' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ARG . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.484 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt -40.23 138.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.83 -59.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.31 168.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.49 -138.35 6.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.08 4.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -149.05 136.16 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -106.03 98.43 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 87.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -164.85 122.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -97.65 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 81.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -118.92 160.78 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.35 -169.59 36.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 164.99 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -108.04 131.64 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.91 153.25 42.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -82.53 -58.73 2.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 93.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.2 -163.53 38.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.98 172.0 37.16 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.9 p -114.35 162.97 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.737 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.63 99.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 -174.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 66.72 70.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -126.03 117.04 22.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -175.73 39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.572 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 p -131.05 143.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.29 121.98 35.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 16.5 m-85 -135.32 176.44 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t -115.29 153.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.498 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.514 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -42.28 144.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 63.21 139.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.33 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.42 -149.06 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.6 p -78.19 130.65 36.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t -98.97 -59.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -125.74 -58.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 56.36 82.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 71.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -138.92 107.43 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -53.48 -58.16 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -143.97 19.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 101.75 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.15 130.41 23.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.11 37.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.38 92.46 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.52 109.94 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -74.65 78.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.15 -128.28 3.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.0 163.51 33.79 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -99.73 162.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.4 OUTLIER -170.96 103.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 68.78 -57.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 36.3 mtt180 -44.97 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.04 136.03 41.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.97 130.79 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.1 p -82.3 147.41 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.29 121.7 34.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 33.5 m-85 -125.96 173.46 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t -99.66 153.28 19.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.447 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.563 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 54' ' ' PHE . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HD12 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.474 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.563 ' CD1' ' HE1' ' A' ' 32' ' ' MET . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER -44.92 144.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.85 178.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER 175.02 -174.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 37.87 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.26 138.7 31.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p 174.3 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -162.2 142.38 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -168.39 131.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.93 -63.82 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -47.1 117.01 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 0.726 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.89 154.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.82 -136.73 1.85 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -124.59 -42.97 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -122.11 101.33 41.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -144.17 171.81 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -81.19 -58.92 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.96 -61.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.12 -119.41 10.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.82 -83.71 1.34 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -72.48 162.97 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.54 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -121.02 42.16 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -149.61 82.25 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -124.84 145.7 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -93.74 93.87 8.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 11.5 p -120.31 145.66 46.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -125.28 122.23 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 10.4 m-85 -122.75 172.14 8.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -102.39 152.77 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.453 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.567 ' HE2' ' CD1' ' A' ' 68' ' ' TRP . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 HG13 ' CE ' ' A' ' 69' ' ' MET . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 61' ' ' ARG . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.505 ' O ' ' CD1' ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.59 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.481 ' CE ' HG13 ' A' ' 43' ' ' ILE . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.1 m-80 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.19 159.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.11 95.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.94 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.79 -161.52 10.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.06 5.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.91 164.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.26 79.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -156.74 153.22 28.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 165.28 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 137.58 3.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -99.9 168.0 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.35 -57.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.47 127.78 42.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 178.49 146.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -112.42 124.92 30.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.61 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.81 111.45 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -161.04 93.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p 177.57 133.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.88 178.18 19.63 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.13 -104.13 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.6 p -121.88 162.91 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -168.54 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HG2' ' CG2' ' A' ' 17' ' ' THR . 6.8 pttt -175.8 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 25.1 mtp180 -112.28 99.69 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -87.01 134.63 33.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 104.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.2 p -76.19 146.72 38.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -125.09 115.68 20.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -114.32 164.24 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -90.34 151.7 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' CD1' ' HE2' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 55.4 p-80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.448 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.49 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.438 ' HB2' ' CG1' ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.552 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.476 ' HE2' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt -39.57 136.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.01 145.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -77.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.14 -153.01 8.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 p 42.33 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.42 96.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -73.08 -58.66 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.13 92.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.76 163.87 54.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -100.04 152.53 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -175.64 133.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.58 68.52 0.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.57 169.63 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -94.03 148.68 35.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.79 83.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -142.05 171.42 14.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.1 t -128.39 163.93 23.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' N ' ' OE1' ' A' ' 63' ' ' GLN . . . 104.22 -159.95 16.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.96 86.95 0.88 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.0 m -105.56 152.16 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.5 -43.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.375 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.05 -45.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.56 102.03 7.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -113.34 125.23 54.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 157.48 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.476 ' CG2' HG13 ' A' ' 64' ' ' VAL . 1.5 p -120.17 147.64 44.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 121.58 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.639 ' CD2' ' CE ' ' A' ' 32' ' ' MET . 3.8 m-85 -112.01 175.24 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -113.63 158.96 20.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.441 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 70.5 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.639 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 65' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 HD12 ' CE ' ' A' ' 69' ' ' MET . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 65' ' ' LEU . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG23 ' CE2' ' A' ' 24' ' ' PHE . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.51 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 64.1 m-80 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -121.58 166.44 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.88 92.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.49 -169.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.15 142.73 4.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.5 m -144.1 95.02 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 151.19 40.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -114.4 -58.5 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.19 104.51 7.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.09 66.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -90.59 145.74 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.733 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.42 61.04 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.5 p -147.99 150.87 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.036 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -107.89 151.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 176.99 9.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 153.99 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 151.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -135.24 -58.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.06 -175.48 39.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.12 58.92 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -85.97 162.92 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 HG21 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -168.02 -45.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CG ' HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER 179.23 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -40.31 147.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' ARG . 14.8 p90 -112.62 147.07 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 72.16 152.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -67.36 144.89 55.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.19 121.12 33.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 10.6 m-85 -122.08 177.01 5.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t -103.54 157.91 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.1 mt-30 -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' CG1' ' HE3' ' A' ' 69' ' ' MET . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.547 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.561 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.517 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.547 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.498 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.594 ' CE2' ' ND2' ' A' ' 72' ' ' ASN . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.99 153.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -148.51 164.13 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.061 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.26 -175.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.39 -145.09 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 66.34 6.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 p -90.4 -58.26 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 t -147.41 -58.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -131.48 -78.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -140.41 -58.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -133.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 62.32 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.65 -60.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.83 45.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 m -138.78 -59.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -134.68 134.78 22.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -147.65 145.21 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.3 160.58 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 p -138.2 112.66 8.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.5 168.87 22.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.0 -59.82 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -67.47 162.91 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -161.78 134.37 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 39.24 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -179.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -88.89 136.14 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.67 163.93 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.47 145.27 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -125.64 126.7 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.64 ' CD2' ' CE ' ' A' ' 32' ' ' MET . 3.9 m-85 -110.37 175.83 5.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t -112.68 157.71 20.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' CD2' ' CZ2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 39' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD13 ' CE ' ' A' ' 69' ' ' MET . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG23 ' CE2' ' A' ' 24' ' ' PHE . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.506 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 32' ' ' MET . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 32' ' ' MET . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 70.2 m-80 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? -98.11 -22.45 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' SER . 3.8 m-80 -179.88 110.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER 165.25 -174.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.14 -93.86 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -178.94 151.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -121.34 88.85 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -157.97 112.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 107.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 126.18 24.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -179.72 160.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.14 145.82 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 77.08 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.74 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -126.38 153.16 74.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.33 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -133.46 155.29 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 60.69 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -173.31 140.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.99 -127.9 3.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.23 59.31 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.6 p -82.94 163.03 21.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.49 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -174.67 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.67 128.05 35.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -117.43 143.39 46.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 168.61 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -44.02 147.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -125.71 121.77 34.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.602 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 11.0 m-85 -126.77 176.81 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t -95.62 157.97 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 1.9 mt-30 -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' CD2' HD13 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG13 ' CE ' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 32' ' ' MET . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.522 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.508 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -40.29 -35.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -117.69 -61.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.96 -74.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.36 -147.56 5.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 71.22 5.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -121.32 97.18 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.97 151.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -111.28 145.68 38.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 83.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.82 120.92 5.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -86.77 152.99 22.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -165.83 86.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.1 -133.44 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.15 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -126.14 119.23 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -126.62 101.88 26.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -90.35 -59.1 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -94.26 121.24 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 p -171.45 84.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.96 154.71 6.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.74 157.4 16.19 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -79.14 163.04 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -170.29 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -175.64 65.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 -139.49 136.03 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.23 128.2 39.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -160.4 146.53 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.452 HG21 ' CG1' ' A' ' 64' ' ' VAL . 35.5 p -76.25 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -125.13 119.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.593 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 13.3 m-85 -130.87 177.22 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t -99.62 158.68 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.2 mt-30 -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HE3' ' CG ' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 33' ' ' LEU . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' CE2' HD22 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 HD12 ' CE ' ' A' ' 69' ' ' MET . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.608 ' CD1' ' OG1' ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.608 ' OG1' ' CD1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' CG2' ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' CG2' ' HB2' ' A' ' 61' ' ' ARG . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD22 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.56 ' CZ3' ' CZ3' ' A' ' 41' ' ' TRP . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 74' ' ' ASN . 2.0 ptpt -44.18 -39.81 4.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.7 m-80 -73.26 106.62 5.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -171.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 130.48 157.42 8.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.63 5.51 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -58.64 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t -172.3 142.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 39' ' ' LEU . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' NE2' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.408 ' HG3' HG11 ' A' ' 51' ' ' VAL . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.836 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.651 ' CE1' ' OD2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD2' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' HG23 ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.811 ' CH2' HD22 ' A' ' 33' ' ' LEU . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HE1' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.792 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG11 ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.919 ' HG3' HG11 ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.781 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.524 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 56.3 t-80 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 33.6 m120 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HE3' ' CD2' ' A' ' 70' ' ' HIS . 3.4 ptpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.792 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 39' ' ' LEU . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 65' ' ' LEU . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 65' ' ' LEU . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.632 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.792 ' HH2' HD22 ' A' ' 33' ' ' LEU . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.709 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG13 ' HE1' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' H ' ' CD2' ' A' ' 46' ' ' HIS . 9.3 p80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 43' ' ' ILE . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 32' ' ' MET . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.6 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' CG ' HG11 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.713 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.713 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.761 ' HH2' HD22 ' A' ' 33' ' ' LEU . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.554 ' HE1' HG13 ' A' ' 43' ' ' ILE . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.601 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.2 p80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 62' ' ' ARG . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HB2' HG23 ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.477 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.78 ' HH2' HD22 ' A' ' 33' ' ' LEU . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.646 ' CE ' HD11 ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG13 ' HE1' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.2 p80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.585 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 62' ' ' ARG . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD12 ' A' ' 65' ' ' LEU . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HB2' HG23 ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.408 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.797 ' HH2' HD22 ' A' ' 33' ' ' LEU . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 47' ' ' ASP . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.59 HG11 ' HG3' ' A' ' 62' ' ' ARG . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HB2' HG23 ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.65 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD21 ' HE2' ' A' ' 35' ' ' PHE . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.783 ' HH2' HD22 ' A' ' 33' ' ' LEU . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HG3' HG11 ' A' ' 51' ' ' VAL . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.793 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.518 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' HE1' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' HB2' ' A' ' 47' ' ' ASP . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 15.3 p80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 44' ' ' GLN . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 HG21 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 32' ' ' MET . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.673 ' O ' HD12 ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 54' ' ' PHE . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.785 ' HH2' HD22 ' A' ' 33' ' ' LEU . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.575 ' HE1' HG13 ' A' ' 43' ' ' ILE . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.837 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.511 HG13 ' HE2' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 62' ' ' ARG . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HG3' HG11 ' A' ' 51' ' ' VAL . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 61' ' ' ARG . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.837 ' HH2' HD22 ' A' ' 33' ' ' LEU . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.511 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' OE1' HG22 ' A' ' 60' ' ' VAL . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' ASP . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HB2' HG23 ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' HG11 ' A' ' 51' ' ' VAL . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.825 ' HH2' HD22 ' A' ' 33' ' ' LEU . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.789 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 39' ' ' LEU . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG13 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' HG23 ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD21 ' HE2' ' A' ' 35' ' ' PHE . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.789 ' HH2' HD22 ' A' ' 33' ' ' LEU . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HG3' ' A' ' 66' ' ' LYS . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD22 ' SD ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' HD12 ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.834 ' HH2' HD22 ' A' ' 33' ' ' LEU . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.794 ' SD ' HD22 ' A' ' 65' ' ' LEU . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 17.5 p80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.523 HG12 ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' H ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.6 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HB2' HG12 ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.79 ' HH2' HD22 ' A' ' 33' ' ' LEU . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.524 ' NE2' ' HB ' ' A' ' 60' ' ' VAL . 23.0 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.912 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.768 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.768 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 51' ' ' VAL . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 43' ' ' ILE . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.524 ' HB ' ' NE2' ' A' ' 28' ' ' GLN . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.613 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.822 ' HH2' HD22 ' A' ' 33' ' ' LEU . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.79 ' CD2' HD11 ' A' ' 39' ' ' LEU . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 37' ' ' GLU . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 47' ' ' ASP . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB2' HG23 ' A' ' 43' ' ' ILE . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' HD2' ' A' ' 62' ' ' ARG . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 58' ' ' THR . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.6 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 35' ' ' PHE . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.874 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 65' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' HE2' HG11 ' A' ' 60' ' ' VAL . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.502 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG11 ' HE2' ' A' ' 54' ' ' PHE . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 35' ' ' PHE . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.821 ' HH2' HD22 ' A' ' 33' ' ' LEU . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.74 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG13 ' HE2' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.584 ' HE1' HG11 ' A' ' 60' ' ' VAL . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.507 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.7 ' HB2' HG23 ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' HD12 ' A' ' 67' ' ' ILE . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 35' ' ' PHE . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.534 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.846 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CE2' HD21 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 51' ' ' VAL . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG11 ' HE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 61' ' ' ARG . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.831 HD21 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.846 ' HH2' HD22 ' A' ' 33' ' ' LEU . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.493 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.79 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.81 132.49 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.81 89.72 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m 61.29 143.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -174.57 148.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.57 -147.35 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t 61.9 94.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -136.09 100.14 10.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.64 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.71 89.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.05 106.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -157.84 169.6 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.11 136.07 2.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.87 119.16 3.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 p -104.87 162.98 12.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -167.55 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 17' ' ' THR . 5.3 pttt -166.6 56.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -153.61 161.85 41.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.04 115.18 27.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.65 112.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 22.8 p -105.01 145.71 30.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.11 118.67 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 38.2 m-85 -127.43 168.8 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -103.37 154.95 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 39' ' ' LEU . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' NE2' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.408 ' HG3' HG11 ' A' ' 51' ' ' VAL . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.836 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -45.67 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -44.28 105.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -58.71 -70.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.35 155.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -145.67 134.41 22.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 158.3 29.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -166.83 132.7 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.031 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -152.64 166.37 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 141.62 4.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 167.88 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 109.947 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -152.43 139.41 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.74 117.22 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m 57.1 106.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -114.73 97.41 47.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -52.78 154.32 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -164.52 95.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -124.01 -59.27 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.47 116.46 3.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.07 129.63 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -115.25 162.91 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.67 148.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.21 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 136.02 30.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.46 147.71 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.69 126.69 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -81.12 148.1 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.22 122.12 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -132.44 159.87 38.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -90.25 152.65 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.651 ' CE1' ' OD2' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' OD2' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' HG23 ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.811 ' CH2' HD22 ' A' ' 33' ' ' LEU . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt -44.98 166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -41.21 103.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -74.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.39 97.42 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.564 1.823 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 80.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.09 118.93 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 61.99 117.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -138.58 101.8 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.24 -146.01 32.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.61 -58.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.85 169.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 -139.46 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.92 79.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -118.77 100.91 50.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.31 32.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.1 100.63 3.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 p -167.79 121.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.96 163.59 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.39 -141.95 4.1 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.9 170.28 12.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 p -81.29 163.03 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -169.36 -69.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.641 ' N ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -169.05 -164.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -93.13 63.85 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.61 103.22 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -154.4 144.74 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 p -137.2 149.53 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 122.11 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.03 175.06 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -108.42 153.51 23.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HE1' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.792 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG11 ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.919 ' HG3' HG11 ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.781 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.524 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 56.3 t-80 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 33.6 m120 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HE3' ' CD2' ' A' ' 70' ' ' HIS . 3.4 ptpt -108.89 150.01 28.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 58.32 90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -75.21 -74.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.39 156.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.26 26.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 -60.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 t -144.17 155.1 43.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.9 79.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -66.2 113.13 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -125.66 3.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.09 81.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 166.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 92.52 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 121.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.49 99.78 11.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.04 25.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -169.71 148.87 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -168.22 139.36 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.95 162.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.08 145.45 4.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.5 -173.83 10.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -112.1 163.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -158.33 -175.02 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.665 ' N ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER 69.72 133.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -37.05 154.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -68.21 133.63 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.79 -173.62 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 2.7 p -51.9 150.84 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -125.23 122.08 35.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 24.3 m-85 -121.76 172.33 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -101.15 151.82 21.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.792 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 39' ' ' LEU . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 65' ' ' LEU . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 65' ' ' LEU . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.632 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.792 ' HH2' HD22 ' A' ' 33' ' ' LEU . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -42.15 -43.2 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -176.04 148.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -76.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.38 -173.88 13.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.57 3.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 m -154.18 103.17 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -41.46 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.04 -58.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 41.87 79.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 171.93 14.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -90.37 151.12 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -131.83 114.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.61 -64.01 4.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -75.37 91.87 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -89.46 125.1 62.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.16 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.32 110.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -121.0 92.39 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.6 p -139.31 151.07 46.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.45 -133.18 2.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.01 178.02 44.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -84.61 163.0 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -168.97 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -80.98 -171.11 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -128.44 111.18 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -103.62 116.16 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 6.7 ttm105 -170.06 111.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.1 p -138.05 146.54 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -125.2 121.99 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 20.2 m-85 -128.39 176.48 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.48 152.73 22.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.709 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG13 ' HE1' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' H ' ' CD2' ' A' ' 46' ' ' HIS . 9.3 p80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 43' ' ' ILE . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 32' ' ' MET . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.6 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' CG ' HG11 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.713 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.713 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.761 ' HH2' HD22 ' A' ' 33' ' ' LEU . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.554 ' HE1' HG13 ' A' ' 43' ' ' ILE . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -51.06 168.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.29 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.42 -77.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.94 -146.08 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -36.71 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -90.66 141.14 29.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 p -79.37 -58.52 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.47 103.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.74 167.5 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 -96.7 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 161.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -45.04 110.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.75 -96.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 125.34 35.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.8 114.5 48.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -89.73 153.45 20.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.7 p -107.99 84.78 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.2 89.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -164.2 17.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.46 94.25 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -96.71 162.87 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -172.17 122.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -50.84 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 mtp-105 -66.51 162.96 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -104.51 115.22 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.68 135.4 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 p -137.88 144.73 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -125.32 122.36 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 20.9 m-85 -134.96 167.55 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -94.16 154.58 17.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 2.5 mt-30 -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.601 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.2 p80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 62' ' ' ARG . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG23 ' NE2' ' A' ' 28' ' ' GLN . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HB2' HG23 ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.477 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.78 ' HH2' HD22 ' A' ' 33' ' ' LEU . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.646 ' CE ' HD11 ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -51.57 142.39 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.86 152.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -129.53 -166.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -36.47 154.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -132.57 -66.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -101.45 152.66 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -167.69 148.53 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.54 162.65 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.11 -70.94 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -73.65 158.14 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.4 89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.08 -97.43 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 172.78 101.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -78.7 126.32 82.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' SER . 18.2 Cg_endo -75.04 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.0 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -89.24 112.9 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -95.46 159.45 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.44 142.12 9.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -87.24 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -68.89 163.01 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.28 127.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -40.69 -55.13 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.93 98.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -78.04 124.95 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -113.23 156.1 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.8 p -40.91 144.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 121.4 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 23.5 m-85 -129.11 174.61 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t -100.55 153.47 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG13 ' HE1' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.2 p80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.585 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 62' ' ' ARG . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD12 ' A' ' 65' ' ' LEU . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HB2' HG23 ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.408 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.797 ' HH2' HD22 ' A' ' 33' ' ' LEU . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -48.46 126.54 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -42.18 105.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.46 -171.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.91 -172.74 20.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 m 50.27 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 157.03 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 65.84 80.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.0 138.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 163.51 12.45 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 7' ' ' GLY . 24.7 p -153.18 149.0 27.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -60.92 -162.7 0.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.84 79.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -131.07 133.55 24.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 166.78 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -55.68 154.78 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -175.1 168.42 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.56 123.72 2.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.138 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.3 -136.27 5.03 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -75.99 163.02 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.75 155.28 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -83.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -62.6 128.57 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.13 160.43 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 167.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 60.0 p -93.85 136.51 34.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 116.63 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 25.1 m-85 -117.04 176.55 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.82 153.77 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 47' ' ' ASP . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.59 HG11 ' HG3' ' A' ' 62' ' ' ARG . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HB2' HG23 ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.65 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD21 ' HE2' ' A' ' 35' ' ' PHE . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.783 ' HH2' HD22 ' A' ' 33' ' ' LEU . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -44.59 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 41.42 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.07 -172.79 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.57 127.78 3.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.6 6.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -115.11 120.05 38.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p 43.68 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.82 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.956 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.4 p 69.07 169.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.2 108.49 1.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -146.64 -48.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.37 153.81 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.72 -76.22 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.92 89.17 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -131.86 136.1 27.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.66 10.93 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 p -57.75 -54.33 48.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.34 150.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.4 p -96.95 -58.02 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.33 -104.5 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.59 -113.96 0.79 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -78.41 162.67 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.769 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -171.96 109.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.56 -173.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 65.86 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 22' ' ' THR . 10.4 m-85 -118.05 134.79 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -57.49 104.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.8 p -87.76 146.3 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -125.29 121.65 34.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 19.3 m-85 -124.44 171.27 10.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -99.66 149.7 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HG3' HG11 ' A' ' 51' ' ' VAL . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.793 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -51.32 134.32 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 59.46 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.05 152.95 20.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 69.77 5.4 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -110.89 101.65 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -90.62 143.36 26.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -143.38 158.37 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -109.05 137.23 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.88 -118.36 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.74 121.98 27.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.79 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.34 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.81 109.13 54.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -102.18 147.6 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -57.39 -57.96 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -87.08 -58.68 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.12 -126.34 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -65.72 3.01 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -72.01 163.06 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.543 HG22 ' HG2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -168.91 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -179.1 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -83.09 107.53 15.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.9 154.04 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -131.36 96.61 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.5 p -152.49 140.42 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -125.25 121.19 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.1 m-85 -122.95 176.5 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t -108.89 155.13 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.518 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' HE1' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' HB2' ' A' ' 47' ' ' ASP . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 46' ' ' HIS . 15.3 p80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' HB2' ' N ' ' A' ' 44' ' ' GLN . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 HG21 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 32' ' ' MET . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.673 ' O ' HD12 ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 54' ' ' PHE . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.785 ' HH2' HD22 ' A' ' 33' ' ' LEU . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HE1' HG13 ' A' ' 43' ' ' ILE . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -47.51 -40.05 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.07 121.99 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -72.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -37.4 126.53 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 t 63.9 170.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.23 -91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -80.87 149.88 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.31 -58.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.73 -136.93 13.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.37 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.13 142.23 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.15 -156.16 21.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 82.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -123.4 101.01 38.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -172.26 -57.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -166.78 144.47 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 t -105.04 -59.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.08 118.1 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.53 -92.94 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 163.01 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.87 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -119.46 43.98 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.01 167.52 21.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.02 108.02 19.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 90.3 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 74.5 p -37.6 144.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -125.16 117.64 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 37.7 m-85 -123.42 173.68 7.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -109.25 157.64 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.837 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.511 HG13 ' HE2' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 62' ' ' ARG . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HG3' HG11 ' A' ' 51' ' ' VAL . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 61' ' ' ARG . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.837 ' HH2' HD22 ' A' ' 33' ' ' LEU . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.511 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt -40.23 138.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.83 -59.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.31 168.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.49 -138.35 6.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.08 4.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -149.05 136.16 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -106.03 98.43 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 87.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -164.85 122.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -97.65 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 81.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -118.92 160.78 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.35 -169.59 36.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 164.99 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -108.04 131.64 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.91 153.25 42.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -82.53 -58.73 2.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 93.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.2 -163.53 38.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.98 172.0 37.16 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.9 p -114.35 162.97 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.737 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -169.63 99.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 -174.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 66.72 70.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -126.03 117.04 22.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -175.73 39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 p -131.05 143.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.29 121.98 35.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 16.5 m-85 -135.32 176.44 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t -115.29 153.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' OE1' HG22 ' A' ' 60' ' ' VAL . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' ASP . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HB2' HG23 ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' HG11 ' A' ' 51' ' ' VAL . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.825 ' HH2' HD22 ' A' ' 33' ' ' LEU . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -42.28 144.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 63.21 139.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.33 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.42 -149.06 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.6 p -78.19 130.65 36.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t -98.97 -59.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -125.74 -58.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 56.36 82.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 71.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -138.92 107.43 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -53.48 -58.16 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -143.97 19.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 101.75 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.15 130.41 23.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.11 37.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.38 92.46 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.52 109.94 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -74.65 78.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.15 -128.28 3.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.0 163.51 33.79 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -99.73 162.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HG22 ' A' ' 17' ' ' THR . 0.4 OUTLIER -170.96 103.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 68.78 -57.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 36.3 mtt180 -44.97 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.04 136.03 41.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.97 130.79 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.1 p -82.3 147.41 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.29 121.7 34.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 33.5 m-85 -125.96 173.46 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t -99.66 153.28 19.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.447 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.789 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 39' ' ' LEU . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG13 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' HG23 ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD21 ' HE2' ' A' ' 35' ' ' PHE . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.789 ' HH2' HD22 ' A' ' 33' ' ' LEU . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER -44.92 144.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.85 178.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER 175.02 -174.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 37.87 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.26 138.7 31.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p 174.3 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -162.2 142.38 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -168.39 131.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.93 -63.82 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -47.1 117.01 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 0.726 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.89 154.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.82 -136.73 1.85 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -124.59 -42.97 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -122.11 101.33 41.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -144.17 171.81 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -81.19 -58.92 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.96 -61.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.12 -119.41 10.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.82 -83.71 1.34 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -72.48 162.97 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.54 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -121.02 42.16 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -149.61 82.25 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -124.84 145.7 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -93.74 93.87 8.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 11.5 p -120.31 145.66 46.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -125.28 122.23 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 10.4 m-85 -122.75 172.14 8.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -102.39 152.77 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.453 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.6 mt-30 -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HG3' ' A' ' 66' ' ' LYS . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG23 ' NE2' ' A' ' 28' ' ' GLN . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD22 ' SD ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' HD12 ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.834 ' HH2' HD22 ' A' ' 33' ' ' LEU . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.794 ' SD ' HD22 ' A' ' 65' ' ' LEU . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.19 159.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 74' ' ' ASN . 2.2 p-10 -59.11 95.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.94 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.79 -161.52 10.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.06 5.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.91 164.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.26 79.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -156.74 153.22 28.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 165.28 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 137.58 3.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -99.9 168.0 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.35 -57.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.47 127.78 42.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 178.49 146.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -112.42 124.92 30.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.61 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.81 111.45 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -161.04 93.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p 177.57 133.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.88 178.18 19.63 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.13 -104.13 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.6 p -121.88 162.91 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -168.54 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.572 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 pttt -175.8 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 25.1 mtp180 -112.28 99.69 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -87.01 134.63 33.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 104.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.2 p -76.19 146.72 38.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -125.09 115.68 20.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -114.32 164.24 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -90.34 151.7 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.4 mt-30 -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HB2' ' CD2' ' A' ' 46' ' ' HIS . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 17.5 p80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.523 HG12 ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' H ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.6 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HB2' HG12 ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.79 ' HH2' HD22 ' A' ' 33' ' ' LEU . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.9 t-80 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt -39.57 136.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.01 145.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -77.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.14 -153.01 8.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 p 42.33 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.42 96.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -73.08 -58.66 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.13 92.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.76 163.87 54.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -100.04 152.53 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -175.64 133.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.58 68.52 0.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.57 169.63 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -94.03 148.68 35.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.79 83.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -142.05 171.42 14.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.1 t -128.39 163.93 23.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' N ' ' OE1' ' A' ' 63' ' ' GLN . . . 104.22 -159.95 16.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.96 86.95 0.88 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.699 HG23 ' HB2' ' A' ' 20' ' ' PHE . 27.0 m -105.56 152.16 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -163.5 -43.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.375 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -157.05 -45.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.56 102.03 7.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.699 ' HB2' HG23 ' A' ' 16' ' ' THR . 84.8 t80 -113.34 125.23 54.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 157.48 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.526 HG21 HG13 ' A' ' 64' ' ' VAL . 1.5 p -120.17 147.64 44.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 121.58 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.709 ' HE2' HG21 ' A' ' 60' ' ' VAL . 3.8 m-85 -112.01 175.24 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -113.63 158.96 20.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.441 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 70.5 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.912 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.639 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.768 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.768 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 51' ' ' VAL . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 43' ' ' ILE . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 24' ' ' PHE . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.613 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.822 ' HH2' HD22 ' A' ' 33' ' ' LEU . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -121.58 166.44 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.88 92.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.49 -169.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.15 142.73 4.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.5 m -144.1 95.02 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 151.19 40.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -114.4 -58.5 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.19 104.51 7.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.09 66.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -90.59 145.74 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.733 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.42 61.04 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.5 p -147.99 150.87 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.036 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -107.89 151.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 176.99 9.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 153.99 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 151.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -135.24 -58.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.06 -175.48 39.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.12 58.92 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -85.97 162.92 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -168.02 -45.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER 179.23 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -40.31 147.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' ARG . 14.8 p90 -112.62 147.07 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 72.16 152.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -67.36 144.89 55.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.19 121.12 33.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 10.6 m-85 -122.08 177.01 5.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t -103.54 157.91 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.1 mt-30 -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.79 ' CD2' HD11 ' A' ' 39' ' ' LEU . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 37' ' ' GLU . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 47' ' ' ASP . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB2' HG23 ' A' ' 43' ' ' ILE . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' HD2' ' A' ' 62' ' ' ARG . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 58' ' ' THR . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.6 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 35' ' ' PHE . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.99 153.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -148.51 164.13 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.061 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.26 -175.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.39 -145.09 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 66.34 6.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 p -90.4 -58.26 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 t -147.41 -58.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -131.48 -78.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -140.41 -58.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -133.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 62.32 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.65 -60.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.83 45.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 m -138.78 -59.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -134.68 134.78 22.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -147.65 145.21 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.3 160.58 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 p -138.2 112.66 8.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.5 168.87 22.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.0 -59.82 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -67.47 162.91 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -161.78 134.37 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 39.24 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -179.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -88.89 136.14 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.67 163.93 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.477 HG21 HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -51.47 145.27 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -125.64 126.7 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.695 ' HE2' HG21 ' A' ' 60' ' ' VAL . 3.9 m-85 -110.37 175.83 5.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t -112.68 157.71 20.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.874 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 65' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' HE2' HG11 ' A' ' 60' ' ' VAL . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.502 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG21 ' HE2' ' A' ' 24' ' ' PHE . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 35' ' ' PHE . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.821 ' HH2' HD22 ' A' ' 33' ' ' LEU . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? -98.11 -22.45 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -179.88 110.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER 165.25 -174.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.14 -93.86 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -178.94 151.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -121.34 88.85 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -157.97 112.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 107.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 126.18 24.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -179.72 160.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.14 145.82 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 77.08 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.74 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -126.38 153.16 74.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.33 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -133.46 155.29 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 60.69 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -173.31 140.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.99 -127.9 3.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.23 59.31 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.6 p -82.94 163.03 21.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.49 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -174.67 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.67 128.05 35.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -117.43 143.39 46.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 168.61 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.549 HG21 HG13 ' A' ' 64' ' ' VAL . 19.1 p -44.02 147.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -125.71 121.77 34.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.602 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 11.0 m-85 -126.77 176.81 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t -95.62 157.97 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 1.9 mt-30 -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.74 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG13 ' HE2' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.584 ' HE1' HG11 ' A' ' 60' ' ' VAL . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.507 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.7 ' HB2' HG23 ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' HD12 ' A' ' 67' ' ' ILE . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 35' ' ' PHE . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.534 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -40.29 -35.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -117.69 -61.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.96 -74.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.36 -147.56 5.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 71.22 5.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -121.32 97.18 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.97 151.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -111.28 145.68 38.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 83.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.82 120.92 5.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -86.77 152.99 22.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -165.83 86.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.1 -133.44 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.15 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -126.14 119.23 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -126.62 101.88 26.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -90.35 -59.1 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -94.26 121.24 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 p -171.45 84.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.96 154.71 6.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.74 157.4 16.19 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -79.14 163.04 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -170.29 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -175.64 65.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 -139.49 136.03 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.23 128.2 39.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -160.4 146.53 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.943 HG21 HG13 ' A' ' 64' ' ' VAL . 35.5 p -76.25 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -125.13 119.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.684 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 13.3 m-85 -130.87 177.22 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t -99.62 158.68 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.2 mt-30 -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.563 ' HE2' ' CG ' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.846 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CE2' HD21 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 51' ' ' VAL . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG11 ' HE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.943 HG13 HG21 ' A' ' 22' ' ' THR . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.831 HD21 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.846 ' HH2' HD22 ' A' ' 33' ' ' LEU . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.493 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 74' ' ' ASN . 2.0 ptpt -44.18 -39.81 4.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.7 m-80 -73.26 106.62 5.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -171.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 130.48 157.42 8.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.63 5.51 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -58.64 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t -172.3 142.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.836 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 39' ' ' LEU . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' NE2' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.408 ' HG3' HG11 ' A' ' 51' ' ' VAL . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.836 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 2.1 p-80 -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' HG23 ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.811 ' CH2' HD22 ' A' ' 33' ' ' LEU . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.457 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HE1' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.792 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG11 ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.919 ' HG3' HG11 ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.781 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CG ' ' HE3' ' A' ' 73' ' ' LYS . 6.9 t60 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.542 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 69.8 m-80 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HE3' ' CG ' ' A' ' 70' ' ' HIS . 3.4 ptpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.792 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 39' ' ' LEU . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 3.2 mm100 -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 65' ' ' LEU . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 65' ' ' LEU . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.632 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.792 ' HH2' HD22 ' A' ' 33' ' ' LEU . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.761 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.709 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.554 HG13 ' HE1' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.605 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 31.6 p-80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 32' ' ' MET . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.6 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.52 ' CG ' HG11 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.713 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.713 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.761 ' HH2' HD22 ' A' ' 33' ' ' LEU . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.554 ' HE1' HG13 ' A' ' 43' ' ' ILE . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 2.5 mt-30 -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.578 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.0 p-80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 62' ' ' ARG . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 HG23 ' NE2' ' A' ' 28' ' ' GLN . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HB2' HG23 ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.477 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.78 ' HH2' HD22 ' A' ' 33' ' ' LEU . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.646 ' CE ' HD11 ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG13 ' HE1' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.9 p-80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.58 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 62' ' ' ARG . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD12 ' A' ' 65' ' ' LEU . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HB2' HG23 ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.408 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.797 ' HH2' HD22 ' A' ' 33' ' ' LEU . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 47' ' ' ASP . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.59 HG11 ' HG3' ' A' ' 62' ' ' ARG . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HB2' HG23 ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.65 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD21 ' HE2' ' A' ' 35' ' ' PHE . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.783 ' HH2' HD22 ' A' ' 33' ' ' LEU . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HG3' HG11 ' A' ' 51' ' ' VAL . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.793 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.518 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' HE1' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.438 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 29.6 p-80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 HG21 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 32' ' ' MET . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.673 ' O ' HD12 ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 54' ' ' PHE . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.785 ' HH2' HD22 ' A' ' 33' ' ' LEU . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.575 ' HE1' HG13 ' A' ' 43' ' ' ILE . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.837 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.511 HG13 ' HE2' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 62' ' ' ARG . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HG3' HG11 ' A' ' 51' ' ' VAL . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 61' ' ' ARG . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.837 ' HH2' HD22 ' A' ' 33' ' ' LEU . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.511 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' OE1' HG22 ' A' ' 60' ' ' VAL . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' ASP . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HB2' HG23 ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' HG11 ' A' ' 51' ' ' VAL . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.825 ' HH2' HD22 ' A' ' 33' ' ' LEU . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.789 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 39' ' ' LEU . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG13 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' HG23 ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD21 ' HE2' ' A' ' 35' ' ' PHE . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.789 ' HH2' HD22 ' A' ' 33' ' ' LEU . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.6 mt-30 -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HG3' ' A' ' 66' ' ' LYS . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.423 HG23 ' NE2' ' A' ' 28' ' ' GLN . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.794 HD22 ' SD ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' HD12 ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.834 ' HH2' HD22 ' A' ' 33' ' ' LEU . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.794 ' SD ' HD22 ' A' ' 65' ' ' LEU . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.1 m-80 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.4 mt-30 -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 55.4 p-80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.523 HG12 ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' H ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.6 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HB2' HG12 ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.79 ' HH2' HD22 ' A' ' 33' ' ' LEU . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 70.5 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.912 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.558 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.768 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.768 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 51' ' ' VAL . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 43' ' ' ILE . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG11 ' HE2' ' A' ' 54' ' ' PHE . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.613 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.822 ' HH2' HD22 ' A' ' 33' ' ' LEU . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 64.1 m-80 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.79 ' CD2' HD11 ' A' ' 39' ' ' LEU . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 37' ' ' GLU . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 47' ' ' ASP . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB2' HG23 ' A' ' 43' ' ' ILE . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' HD2' ' A' ' 62' ' ' ARG . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 58' ' ' THR . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.6 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 35' ' ' PHE . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.874 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 65' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' HE2' HG11 ' A' ' 60' ' ' VAL . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.502 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG11 ' HE2' ' A' ' 54' ' ' PHE . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 35' ' ' PHE . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.821 ' HH2' HD22 ' A' ' 33' ' ' LEU . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.536 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 70.2 m-80 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.74 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.534 HG13 ' HE2' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.584 ' HE1' HG11 ' A' ' 60' ' ' VAL . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.507 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.7 ' HB2' HG23 ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' HD12 ' A' ' 67' ' ' ILE . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 35' ' ' PHE . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.534 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.846 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CE2' HD21 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 51' ' ' VAL . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG11 ' HE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 61' ' ' ARG . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.831 HD21 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.846 ' HH2' HD22 ' A' ' 33' ' ' LEU . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.493 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.79 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.81 132.49 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.81 89.72 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m 61.29 143.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.989 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -174.57 148.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.57 -147.35 18.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t 61.9 94.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -136.09 100.14 10.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.64 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.71 89.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.05 106.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -157.84 169.6 24.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.11 136.07 2.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.87 119.16 3.23 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 p -104.87 162.98 12.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 0.738 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -167.55 -61.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.436 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 17' ' ' THR . 5.3 pttt -166.6 56.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -153.61 161.85 41.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -114.04 115.18 27.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.65 112.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 22.8 p -105.01 145.71 30.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.11 118.67 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 38.2 m-85 -127.43 168.8 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -103.37 154.95 18.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.25 -50.81 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -57.67 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 60' ' ' VAL . 27.5 mt-30 -56.52 -50.51 71.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.622 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.88 -52.24 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.41 -58.08 10.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.323 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -48.92 -54.69 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 mtm -58.43 -48.3 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.836 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -44.5 -45.07 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.4 -57.4 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -37.76 -54.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -60.48 -46.43 90.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 -25.16 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -84.42 -52.29 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -69.49 -11.19 60.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.62 26.18 51.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.597 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.2 m95 66.25 23.54 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.2 ptm85 -145.86 138.24 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.6 mt -108.24 127.32 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 4.0 mt-30 -113.69 -174.7 2.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -66.44 -28.61 68.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 35.0 p-80 -77.19 -31.57 55.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.633 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HB3' HD22 ' A' ' 39' ' ' LEU . 6.6 m-20 -86.98 47.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.62 -58.92 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.2 -52.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.13 -37.01 9.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 47' ' ' ASP . 12.0 t -69.55 -42.85 80.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.74 -42.53 86.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.242 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -41.49 96.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 56.7 t80 -63.53 -47.35 81.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.2 t -60.21 -46.73 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.11 -23.61 3.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -72.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 p -65.9 -54.35 27.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.07 6.71 25.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.447 HG23 ' NE2' ' A' ' 28' ' ' GLN . 88.3 t -72.36 136.58 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.581 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mtt-85 -81.88 134.37 35.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.408 ' HG3' HG11 ' A' ' 51' ' ' VAL . 10.8 ttt180 -40.62 -50.71 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.8 pt20 -57.5 -46.12 84.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.2 t -64.32 -49.25 81.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.402 ' O ' ' SD ' ' A' ' 69' ' ' MET . 12.4 tp -60.11 -56.02 26.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -48.61 -43.88 36.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.8 mt -72.87 -33.65 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.836 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.8 t90 -57.9 -46.76 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -57.55 -57.66 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -52.5 -24.15 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -92.7 25.87 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 38.7 m-80 -145.18 -55.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -45.67 165.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -44.28 105.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.1 OUTLIER -58.71 -70.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.35 155.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -171.6 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -145.67 134.41 22.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 158.3 29.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p -166.83 132.7 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.031 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -152.64 166.37 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 141.62 4.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.54 167.88 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 109.947 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 m -152.43 139.41 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.74 117.22 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.3 m 57.1 106.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -114.73 97.41 47.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -52.78 154.32 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -164.52 95.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.1 t -124.01 -59.27 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.47 116.46 3.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.07 129.63 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.3 t -115.25 162.91 16.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 110.378 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.67 148.49 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.21 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 136.02 30.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.46 147.71 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.69 126.69 50.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 p -81.12 148.1 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.22 122.12 36.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -132.44 159.87 38.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -90.25 152.65 20.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.98 -58.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.54 -56.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.94 -54.45 42.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.64 -55.29 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -54.02 -57.62 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -50.67 -54.29 24.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.505 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 19.4 mtp -57.67 -49.38 76.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.811 HD22 ' CH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.96 -45.07 10.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.7 t80 -38.89 -56.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.84 -41.27 91.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' ALA . 1.5 mm-40 -58.34 -27.99 64.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -80.29 -47.48 14.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -73.73 -17.06 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 89.4 28.05 20.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.052 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.603 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.2 m95 66.17 26.13 10.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.2 ptm85 -145.91 162.84 36.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.0 mt -134.16 135.78 54.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -120.58 -172.64 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -69.46 -22.84 63.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 2.1 p-80 -81.46 -36.72 29.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.3 m-20 -85.48 49.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -94.97 -57.4 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' GLU . 28.5 t -63.75 -55.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.15 -39.05 4.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.07 -43.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' VAL . 1.8 mm-40 -65.28 -40.16 93.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.25 -37.23 79.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 41.5 t80 -66.09 -51.98 53.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 59' ' ' GLY . 14.0 t -55.68 -50.08 71.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.339 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.38 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.38 -71.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -65.93 -52.62 48.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.04 2.91 28.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.95 135.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' HG23 ' A' ' 64' ' ' VAL . 3.3 mtt180 -78.86 133.34 37.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -40.17 -49.44 2.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.656 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.5 pt20 -58.65 -44.4 90.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 61' ' ' ARG . 59.8 t -67.06 -46.06 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' SD ' ' A' ' 69' ' ' MET . 19.6 tp -62.31 -53.56 53.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.09 -54.11 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.5 mt -62.27 -36.92 77.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.811 ' CH2' HD22 ' A' ' 33' ' ' LEU . 54.2 t90 -57.33 -50.27 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 108.031 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -51.57 -58.41 6.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.457 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 59.5 t60 -54.61 -56.44 19.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.6 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -41.03 -29.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 64.1 m-80 -92.76 -63.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 70' ' ' HIS . 2.1 ptmt -44.98 166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -41.21 103.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.51 -74.8 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.39 97.42 0.8 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.01 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.564 1.823 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 80.14 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.09 118.93 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.965 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m 61.99 117.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -138.58 101.8 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.24 -146.01 32.71 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.61 -58.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.85 169.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 -139.46 8.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.92 79.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -118.77 100.91 50.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 146.31 32.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.1 100.63 3.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.4 p -167.79 121.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.96 163.59 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.39 -141.95 4.1 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.9 170.28 12.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 p -81.29 163.03 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 0.793 . . . . 0.0 110.359 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.641 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -169.36 -69.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.641 ' N ' HG22 ' A' ' 17' ' ' THR . 0.3 OUTLIER -169.05 -164.47 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -93.13 63.85 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.61 103.22 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -154.4 144.74 22.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 p -137.2 149.53 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 122.11 36.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -128.03 175.06 8.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -108.42 153.51 23.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 -54.77 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.97 -61.13 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -51.47 -50.48 59.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.86 -59.97 4.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -52.28 -55.67 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.37 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -51.37 -51.82 51.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 29.6 mtm -60.81 -50.33 73.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.95 -46.36 5.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.17 -58.28 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 10.2 t80 -37.59 -46.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -66.45 -60.72 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -41.25 -29.16 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -77.04 -49.43 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -76.23 -7.41 54.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.87 26.08 59.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.6 m95 66.23 28.42 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 3.6 ptm85 -145.76 142.0 28.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.463 HG13 ' HE1' ' A' ' 69' ' ' MET . 47.4 mt -114.7 122.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -99.73 -152.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -90.8 -21.32 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 39.3 p-80 -89.7 -24.56 21.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.792 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-20 -76.83 -12.07 59.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -51.39 -42.96 61.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.39 -59.6 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.11 -39.03 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG11 ' HG3' ' A' ' 62' ' ' ARG . 54.8 t -61.3 -45.11 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.61 -45.05 84.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -41.71 83.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 54.4 t80 -64.88 -51.13 63.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLY . 10.6 t -57.13 -46.87 82.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 108.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.9 -20.52 6.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.11 -68.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.7 p -65.7 -51.14 61.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 107.09 4.26 35.78 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.31 139.4 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.635 ' HB2' HG23 ' A' ' 64' ' ' VAL . 34.9 mtt-85 -81.19 137.1 35.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.919 ' HG3' HG11 ' A' ' 51' ' ' VAL . 39.2 ttt180 -41.83 -53.49 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.641 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.1 pt20 -55.65 -46.35 77.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.635 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.9 t -63.84 -51.42 69.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.99 -52.15 66.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 ttpp -55.42 -56.35 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.1 mt -59.86 -29.1 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.781 ' HH2' HD22 ' A' ' 33' ' ' LEU . 80.7 t90 -69.99 -54.42 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.505 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 14.4 mtm -54.77 -47.83 73.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CG ' ' HE3' ' A' ' 73' ' ' LYS . 6.9 t60 -67.63 -11.21 57.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.61 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.3 m-80 -100.57 -12.76 18.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.542 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 69.8 m-80 -120.79 27.44 8.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' HE3' ' CG ' ' A' ' 70' ' ' HIS . 3.4 ptpt -108.89 150.01 28.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 58.32 90.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.2 OUTLIER -75.21 -74.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -37.39 156.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.26 26.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 -60.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 t -144.17 155.1 43.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.9 79.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.992 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -66.2 113.13 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -125.66 3.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.09 81.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 0.792 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.5 166.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 92.52 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.04 121.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.74 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.49 99.78 11.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 168.04 25.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -169.71 148.87 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 t -168.22 139.36 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.95 162.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.08 145.45 4.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.5 -173.83 10.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -112.1 163.02 14.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' N ' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -158.33 -175.02 5.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.359 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.665 ' N ' HG23 ' A' ' 17' ' ' THR . 0.1 OUTLIER 69.72 133.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -37.05 154.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -68.21 133.63 49.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.79 -173.62 2.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 2.7 p -51.9 150.84 3.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -125.23 122.08 35.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.431 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 24.3 m-85 -121.76 172.33 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -101.15 151.82 21.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.7 -58.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ALA . 16.0 tt0 -37.31 -57.18 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -58.03 8.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.81 -45.46 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -56.38 -60.58 3.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -45.14 -52.02 9.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -58.48 -49.9 75.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.792 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.16 -44.61 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.71 -57.75 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.665 ' CD2' HD11 ' A' ' 39' ' ' LEU . 17.2 t80 -37.56 -48.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -64.08 -55.96 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.47 -26.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -82.22 -48.51 11.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.665 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -75.82 -3.32 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.96 24.56 73.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.515 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.47 28.25 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 10.3 ptt180 -145.96 133.92 21.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 69' ' ' MET . 24.8 mt -106.29 112.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.584 ' CB ' ' CE1' ' A' ' 46' ' ' HIS . 3.2 mm100 -87.84 -174.63 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -69.4 -29.76 67.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.584 ' CE1' ' CB ' ' A' ' 44' ' ' GLN . 29.7 p-80 -81.3 -38.75 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.599 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -61.45 -24.54 66.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -42.36 -28.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.4 t -80.27 -62.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.11 -33.68 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.14 -48.12 79.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 2.4 pt-20 -63.79 -43.68 95.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.4 mt-30 -65.92 -30.36 70.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CD2' HD11 ' A' ' 65' ' ' LEU . 72.4 t80 -76.23 -36.1 58.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLY . 40.3 t -67.83 -41.46 82.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 -21.26 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -70.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 p -66.49 -52.61 44.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.367 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.28 2.74 27.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 65' ' ' LEU . 95.9 t -71.8 137.31 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.59 ' HB2' HG23 ' A' ' 64' ' ' VAL . 4.2 mtt-85 -78.08 156.24 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -58.09 -49.96 75.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.632 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.6 pt20 -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -67.95 -55.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.4 tt -53.58 -41.06 66.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -65.02 -55.01 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 63' ' ' GLN . 11.2 mt -59.79 -27.38 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.792 ' HH2' HD22 ' A' ' 33' ' ' LEU . 22.4 t90 -74.38 -39.84 62.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 1.6 mtm -67.76 -40.04 84.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -70.27 -48.71 55.57 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -51.98 -30.27 24.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -82.32 -59.01 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -42.15 -43.2 3.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -176.04 148.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -76.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.38 -173.88 13.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.57 3.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 m -154.18 103.17 2.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.032 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p -41.46 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.04 -58.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 41.87 79.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.36 171.93 14.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -90.37 151.12 21.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -131.83 114.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.61 -64.01 4.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -75.37 91.87 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -89.46 125.1 62.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 78.16 2.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.32 110.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -121.0 92.39 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.6 p -139.31 151.07 46.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.45 -133.18 2.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.01 178.02 44.44 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.2 t -84.61 163.0 19.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -168.97 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -80.98 -171.11 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -128.44 111.18 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -103.62 116.16 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 6.7 ttm105 -170.06 111.36 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 12.1 p -138.05 146.54 43.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -125.2 121.99 35.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 20.2 m-85 -128.39 176.48 7.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.48 152.73 22.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.77 -56.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.6 tp10 -37.49 -56.7 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -51.46 -57.9 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.45 -51.78 43.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -53.63 -59.5 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -51.15 20.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.82 -52.41 65.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.761 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.3 mm? -42.15 -46.8 4.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.66 -58.91 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.709 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.3 t80 -37.95 -47.08 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' ' CE3' ' A' ' 41' ' ' TRP . . . -66.22 -54.35 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -48.9 -23.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.8 mtp180 -86.3 -48.77 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.21 -7.89 54.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.5 23.83 61.92 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.574 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.7 m95 66.19 25.13 10.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.83 129.65 17.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.554 HG13 ' HE1' ' A' ' 69' ' ' MET . 33.2 mt -103.17 123.29 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 14.5 mt-30 -109.34 -171.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -63.2 -50.69 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 31.6 p-80 -59.38 -34.27 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.584 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.605 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 1.1 m-20 -86.42 46.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.43 -49.17 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' GLU . 53.2 t -69.32 -53.26 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -41.22 -35.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -74.65 -49.11 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -61.27 -35.33 77.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -72.28 -33.15 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CD2' HD11 ' A' ' 65' ' ' LEU . 60.9 t80 -68.49 -40.84 80.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 59' ' ' GLY . 36.4 t -65.74 -45.46 82.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.05 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.85 -74.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.9 p -65.01 -53.34 47.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 110.454 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.96 7.51 25.13 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 110.969 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 ' HE3' ' A' ' 32' ' ' MET . 85.3 t -71.84 135.0 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.6 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.8 mtt-85 -78.84 133.2 37.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.52 ' CG ' HG11 ' A' ' 51' ' ' VAL . 7.5 tmm_? -38.49 -54.08 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.713 ' O ' HD12 ' A' ' 67' ' ' ILE . 9.5 pt20 -54.28 -42.86 70.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' ' 61' ' ' ARG . 47.5 t -70.47 -44.63 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.628 HD11 ' CD2' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -60.93 -45.76 93.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -63.18 -55.23 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.713 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.8 mt -60.74 -28.57 43.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.761 ' HH2' HD22 ' A' ' 33' ' ' LEU . 40.9 t90 -71.09 -46.88 60.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.026 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.554 ' HE1' HG13 ' A' ' 43' ' ' ILE . 6.3 mtm -61.22 -49.13 78.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' ND1' ' HD3' ' A' ' 73' ' ' LYS . 35.4 t60 -63.21 -31.42 72.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -16.4 61.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 28.9 m-80 -98.0 -46.82 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HD3' ' ND1' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -51.06 168.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 61.29 -84.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.42 -77.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.94 -146.08 5.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -36.71 2.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t -90.66 141.14 29.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 p -79.37 -58.52 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.47 103.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.74 167.5 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.77 -96.7 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 161.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -45.04 110.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.75 -96.09 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.16 125.34 35.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.8 114.5 48.73 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 p -89.73 153.45 20.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.7 p -107.99 84.78 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.2 89.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.25 -164.2 17.68 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.46 94.25 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -96.71 162.87 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.425 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -172.17 122.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.396 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.81 -50.84 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' HG22 ' A' ' 17' ' ' THR . 3.2 mtp-105 -66.51 162.96 19.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -104.51 115.22 29.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 111.029 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.68 135.4 36.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.512 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 p -137.88 144.73 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.38 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -125.32 122.36 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 20.9 m-85 -134.96 167.55 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -94.16 154.58 17.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.67 -58.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.55 -58.41 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 2.5 mt-30 -51.78 -57.0 10.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -52.23 -45.56 65.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -62.89 -57.69 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -47.92 -50.72 26.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.3 mtp -58.74 -51.94 67.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -43.34 -45.14 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -79.06 -56.78 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 17.1 t80 -37.11 -51.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.03 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -41.34 -31.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -76.4 -46.37 27.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -83.11 5.39 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 66.34 28.67 73.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 98.6 m95 66.5 15.76 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -128.32 147.56 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.646 HD11 ' CE ' ' A' ' 69' ' ' MET . 65.4 mt -122.63 125.63 72.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -107.31 -173.92 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -19.92 62.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.578 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 5.0 p-80 -87.18 -38.23 16.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.549 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 1.0 OUTLIER -66.91 -23.61 66.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -42.52 -34.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.2 t -73.2 -57.6 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.06 -38.36 51.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG11 ' CG ' ' A' ' 62' ' ' ARG . 77.4 t -60.83 -40.16 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.67 -45.2 60.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -33.64 72.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.8 t80 -70.82 -44.87 65.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 59' ' ' GLY . 43.3 t -57.42 -47.23 82.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.65 -24.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.83 -75.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.483 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.5 p -64.8 -52.38 57.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.15 5.49 26.72 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 HG23 ' NE2' ' A' ' 28' ' ' GLN . 85.2 t -74.75 132.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.62 ' HB2' HG23 ' A' ' 64' ' ' VAL . 64.5 mtt180 -74.28 151.74 39.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.477 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.9 tmm_? -56.63 -45.0 81.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.686 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.7 pt20 -64.19 -41.6 97.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 61' ' ' ARG . 42.5 t -69.88 -48.74 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -45.29 84.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -62.1 -55.09 32.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.3 mt -60.21 -28.48 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.78 ' HH2' HD22 ' A' ' 33' ' ' LEU . 53.9 t90 -69.96 -51.05 35.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.013 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.646 ' CE ' HD11 ' A' ' 43' ' ' ILE . 21.9 mtm -57.82 -54.12 50.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -55.34 -44.95 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.4 -28.43 63.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 46.6 m-80 -86.61 -51.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -51.57 142.39 14.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.86 152.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER -129.53 -166.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -36.47 154.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -132.57 -66.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.1 m -101.45 152.66 20.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -167.69 148.53 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.54 162.65 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.979 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.11 -70.94 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -73.65 158.14 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.4 89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.08 -97.43 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m 172.78 101.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.043 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -78.7 126.32 82.79 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' SER . 18.2 Cg_endo -75.04 -42.96 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.0 -71.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -89.24 112.9 24.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.0 t -95.46 159.45 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.44 142.12 9.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -87.24 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -68.89 163.01 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 0.806 . . . . 0.0 110.405 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.28 127.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -40.69 -55.13 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.93 98.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -78.04 124.95 28.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -113.23 156.1 23.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.8 p -40.91 144.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 121.4 33.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 23.5 m-85 -129.11 174.61 9.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.6 t -100.55 153.47 19.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.49 -58.31 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -37.6 -60.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -49.9 -57.11 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.36 -45.22 62.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.44 -52.68 56.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -49.8 65.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HE1' ' CD1' ' A' ' 68' ' ' TRP . 6.6 mtp -60.67 -51.18 70.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.28 -46.5 6.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -77.58 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.5 t80 -37.81 -50.95 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.03 -53.81 47.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.04 -32.57 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.442 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.2 mtp85 -76.12 -49.66 16.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -71.11 -10.81 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 81.53 23.67 57.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.489 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.6 m95 66.41 24.57 10.42 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.2 ptt-85 -145.76 131.75 19.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG13 ' HE1' ' A' ' 69' ' ' MET . 12.5 mt -100.43 127.14 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.91 -175.12 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -27.86 66.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 1.9 p-80 -78.83 -38.96 36.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.58 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -68.93 -22.18 64.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.098 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -40.77 -32.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' ASP . 44.5 t -84.67 -50.17 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.44 -34.71 49.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG11 ' CG ' ' A' ' 62' ' ' ARG . 19.1 t -70.34 -47.04 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.57 -35.19 80.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.7 OUTLIER -73.23 -45.32 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.5 t80 -73.43 -39.49 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD12 ' A' ' 65' ' ' LEU . 55.7 m -61.71 -19.13 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.86 -50.87 9.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.26 -63.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 54' ' ' PHE . 1.3 p -66.36 -49.38 67.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.351 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.86 2.59 36.73 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 76.1 t -71.8 138.33 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.611 ' HB2' HG23 ' A' ' 64' ' ' VAL . 33.4 mtt85 -80.05 132.76 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.408 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.4 tmm_? -39.01 -52.36 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 16.1 pt20 -55.39 -42.64 74.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.611 HG23 ' HB2' ' A' ' 61' ' ' ARG . 44.9 t -70.85 -44.75 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -60.41 -45.84 92.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -64.19 -55.5 21.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 16.7 mt -59.61 -28.49 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.797 ' HH2' HD22 ' A' ' 33' ' ' LEU . 52.2 t90 -72.45 -48.61 39.56 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.497 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mtm -59.48 -51.66 68.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -58.16 -47.68 82.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.603 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.6 m-80 -55.74 -29.52 59.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -82.06 -58.07 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -48.46 126.54 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -42.18 105.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.46 -171.96 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.91 -172.74 20.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.1 m 50.27 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 157.03 30.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.039 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 65.84 80.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.0 138.82 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.61 163.51 12.45 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 7' ' ' GLY . 24.7 p -153.18 149.0 27.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.038 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -60.92 -162.7 0.16 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.84 79.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -131.07 133.55 24.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 166.78 22.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -55.68 154.78 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.0 p -175.1 168.42 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 134.56 123.72 2.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.138 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.3 -136.27 5.03 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -75.99 163.02 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.75 155.28 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.9 -83.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -62.6 128.57 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.13 160.43 14.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.07 167.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 60.0 p -93.85 136.51 34.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.05 116.63 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 25.1 m-85 -117.04 176.55 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.7 t -105.82 153.77 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -40.0 -58.24 1.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 2.1 tp10 -37.86 -56.87 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -54.16 -57.36 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.83 -46.37 59.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -61.95 -57.64 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -46.75 -52.84 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 28.7 mtm -57.69 -51.88 67.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -41.51 -47.59 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -77.92 -59.07 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 39' ' ' LEU . 25.2 t80 -37.27 -51.26 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -61.49 -48.79 79.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' ALA . 4.1 mm-40 -52.25 -34.64 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -72.32 -47.9 46.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -76.24 -5.58 47.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 75.08 26.29 66.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.467 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 98.5 m95 66.27 27.08 10.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.91 137.23 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 47' ' ' ASP . 62.8 mt -109.63 141.67 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -126.2 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -88.8 -28.58 20.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 38.7 p-80 -79.67 -26.53 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -82.31 -23.22 35.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -42.52 -36.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 93.1 t -75.22 -63.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.7 -35.15 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.59 HG11 ' HG3' ' A' ' 62' ' ' ARG . 41.4 t -63.59 -44.19 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -67.59 -33.47 75.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.84 -35.73 74.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 57.3 t80 -68.17 -48.19 65.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLY . 28.8 t -60.33 -44.74 95.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.51 -20.18 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -98.73 -70.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -66.13 -52.69 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.06 5.4 26.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.87 141.68 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.596 ' HB2' HG23 ' A' ' 64' ' ' VAL . 25.2 mtt180 -82.36 133.11 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 24.4 ttp180 -38.56 -48.99 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.65 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.9 pt20 -60.08 -45.73 91.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.596 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.2 t -65.78 -46.85 87.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD21 ' HE2' ' A' ' 35' ' ' PHE . 14.9 tp -61.94 -53.09 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -53.42 -55.0 28.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 HD12 ' O ' ' A' ' 63' ' ' GLN . 14.0 mt -61.96 -36.07 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.783 ' HH2' HD22 ' A' ' 33' ' ' LEU . 36.6 t90 -58.22 -44.54 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 108.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.502 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 12.5 mtm -64.77 -53.25 50.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.88 -25.76 61.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.618 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -80.89 -14.73 57.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 12.8 m-80 -98.07 -70.26 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.46 -44.59 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 41.42 79.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.07 -172.79 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.57 127.78 3.01 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.6 6.04 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.42 1.747 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.9 m -115.11 120.05 38.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 96.0 p 43.68 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.058 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.82 -73.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.956 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 6.4 p 69.07 169.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.2 108.49 1.79 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -146.64 -48.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.37 153.81 39.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.72 -76.22 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.92 89.17 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -131.86 136.1 27.78 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 175.66 10.93 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 p -57.75 -54.33 48.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.34 150.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.4 p -96.95 -58.02 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.33 -104.5 1.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.59 -113.96 0.79 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.3 t -78.41 162.67 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.769 . . . . 0.0 110.375 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -171.96 109.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.56 -173.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 65.86 87.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 22' ' ' THR . 10.4 m-85 -118.05 134.79 54.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -57.49 104.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.511 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 16.8 p -87.76 146.3 25.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.574 1.171 . . . . 0.0 110.387 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -125.29 121.65 34.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 19.3 m-85 -124.44 171.27 10.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.1 t -99.66 149.7 23.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.48 -56.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' ALA . 1.7 tt0 -38.13 -56.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.294 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.2 OUTLIER -49.22 -57.7 6.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.06 -51.89 38.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.14 -54.96 40.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -51.6 53.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.464 ' HG2' ' CE2' ' A' ' 54' ' ' PHE . 14.5 mtm -60.12 -48.6 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -44.26 -46.51 9.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.86 -57.96 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -37.77 -52.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -60.23 -51.9 67.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.07 -30.72 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -76.47 -52.88 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -70.3 -9.33 55.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 79.8 26.38 56.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.407 ' CZ3' ' HB2' ' A' ' 72' ' ' ASN . 98.8 m95 66.53 29.48 9.01 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 15.4 ptt-85 -146.02 144.25 29.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' CE ' ' A' ' 69' ' ' MET . 94.0 mt -120.04 120.56 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 18.1 mt-30 -118.34 -174.23 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -36.55 75.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.2 p-80 -66.71 -29.85 69.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.61 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' O ' HG23 ' A' ' 51' ' ' VAL . 22.6 m-20 -92.59 53.84 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -95.41 -64.74 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.58 -47.2 90.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.66 -33.64 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 47' ' ' ASP . 62.6 t -75.43 -49.49 27.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 2.5 pt-20 -60.78 -41.92 96.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -60.19 -41.64 93.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 32' ' ' MET . 54.3 t80 -62.73 -48.14 80.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.4 t -59.31 -48.07 83.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.84 -27.22 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.61 -73.67 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 1.8 p -65.04 -55.87 16.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.16 11.38 18.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 ' CG2' ' CD ' ' A' ' 28' ' ' GLN . 87.3 t -75.2 136.41 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.561 ' HB2' HG23 ' A' ' 64' ' ' VAL . 13.0 mtt85 -77.52 132.41 38.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HG3' HG11 ' A' ' 51' ' ' VAL . 2.3 ttt180 -38.74 -48.13 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.66 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 61' ' ' ARG . 58.3 t -66.34 -47.18 84.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.79 -54.52 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -54.06 29.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.0 mt -62.29 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.793 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.2 t90 -49.72 -56.95 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 22.3 mtm -53.43 -48.97 68.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.3 -19.99 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.624 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -98.77 25.94 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 68' ' ' TRP . 48.9 m-80 -138.9 -55.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -51.32 134.32 28.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 59.46 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.57 -73.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.05 152.95 20.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 69.77 5.4 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 t -110.89 101.65 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -90.62 143.36 26.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -143.38 158.37 43.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -109.05 137.23 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.88 -118.36 1.88 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.74 121.98 27.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.79 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.34 -58.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -99.81 109.13 54.7 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 96.04 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -102.18 147.6 26.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 t -57.39 -57.96 10.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -87.08 -58.68 2.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.12 -126.34 4.0 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.38 -65.72 3.01 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.6 p -72.01 163.06 28.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.543 HG22 ' HG2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -168.91 -62.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HG2' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -179.1 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -83.09 107.53 15.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -99.9 154.04 18.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' C ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -131.36 96.61 4.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.5 p -152.49 140.42 20.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -125.25 121.19 33.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 18.1 m-85 -122.95 176.5 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.9 t -108.89 155.13 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -40.03 -57.51 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -37.41 -57.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.469 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -52.59 -57.16 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.598 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -49.13 -44.93 42.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.92 -55.61 13.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -50.66 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.518 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 3.3 mtm -59.84 -50.82 72.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -42.83 -45.44 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -80.56 -58.29 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 18.2 t80 -37.83 -50.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -62.39 -57.92 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.61 -33.19 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 1.1 mtp85 -74.71 -50.25 18.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.522 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.26 -5.57 40.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.57 25.43 65.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.446 ' CE3' ' HB1' ' A' ' 36' ' ' ALA . 99.0 m95 66.61 28.77 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -145.9 142.81 29.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.575 HG13 ' HE1' ' A' ' 69' ' ' MET . 40.0 mt -116.54 107.21 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 47.2 mt-30 -85.76 -171.0 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.49 -46.48 82.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.438 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 29.6 p-80 -65.89 -41.31 91.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.609 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' OD1' ' CD2' ' A' ' 46' ' ' HIS . 6.6 m-20 -56.18 -25.81 48.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -46.35 -30.67 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -81.39 -52.86 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.07 -36.23 28.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG21 HG21 ' A' ' 43' ' ' ILE . 68.2 t -66.29 -44.48 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -32.46 73.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -76.28 -32.11 58.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 58.2 t80 -76.65 -38.7 54.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 59' ' ' GLY . 26.3 t -65.12 -43.3 92.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 108.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.75 -24.32 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.92 -70.35 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 15.8 p -65.73 -55.39 17.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 109.65 8.74 26.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 32' ' ' MET . 60.6 t -71.96 142.39 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.688 ' HB2' HG23 ' A' ' 64' ' ' VAL . 18.9 mmt180 -83.48 133.93 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.12 -48.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.673 ' O ' HD12 ' A' ' 67' ' ' ILE . 11.0 pt20 -63.18 -42.39 99.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' A' ' 61' ' ' ARG . 61.4 t -67.95 -47.91 77.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 54' ' ' PHE . 1.3 tt -60.07 -46.21 90.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -55.94 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 63' ' ' GLN . 13.1 mt -59.99 -27.47 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.785 ' HH2' HD22 ' A' ' 33' ' ' LEU . 23.3 t90 -71.8 -41.64 68.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HE1' HG13 ' A' ' 43' ' ' ILE . 8.0 mtm -68.12 -45.82 72.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -63.59 -38.84 92.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -64.77 -26.92 68.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -86.18 -55.23 4.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -47.51 -40.05 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.07 121.99 20.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.25 -72.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -37.4 126.53 1.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 t 63.9 170.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.967 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.23 -91.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -80.87 149.88 29.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.96 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.31 -58.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.73 -136.93 13.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.37 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -145.13 142.23 29.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.15 -156.16 21.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 82.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.952 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -123.4 101.01 38.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.3 p -172.26 -57.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -166.78 144.47 4.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.5 t -105.04 -59.6 1.73 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 132.08 118.1 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.53 -92.94 0.42 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -88.45 163.01 16.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.87 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -119.46 43.98 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.01 167.52 21.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.02 108.02 19.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.99 90.3 2.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 74.5 p -37.6 144.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.372 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -125.16 117.64 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.48 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 37.7 m-85 -123.42 173.68 7.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -109.25 157.64 18.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.67 -53.43 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -40.88 -64.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -50.02 -49.6 50.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.619 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.75 -50.48 70.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -61.46 -57.24 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -49.52 -53.53 22.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.89 -48.02 82.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.837 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -45.44 -44.99 12.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.51 -57.03 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 3.8 t80 -38.37 -56.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -57.78 -47.2 83.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -31.6 36.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -77.06 -49.3 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.62 -2.46 29.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 70.35 26.36 74.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.591 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 92.1 m95 67.04 29.41 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -145.67 131.67 19.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.511 HG13 ' HE2' ' A' ' 69' ' ' MET . 96.4 mt -106.1 99.19 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' ASP . 25.5 mt-30 -91.51 164.82 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -45.86 -37.05 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 0.3 OUTLIER -63.33 -40.59 97.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -79.2 55.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -95.17 -64.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.4 -51.22 74.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.63 -35.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 62' ' ' ARG . 19.3 t -74.35 -49.36 32.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -61.2 -34.23 74.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -70.16 -42.73 72.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 60.6 t80 -63.68 -52.94 58.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLY . 7.8 t -54.66 -46.43 74.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.29 -23.68 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -71.69 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 p -65.58 -54.04 33.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.0 5.57 26.9 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.97 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 64' ' ' VAL . 17.0 mtt85 -79.45 132.97 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HG3' HG11 ' A' ' 51' ' ' VAL . 15.7 ttt180 -38.75 -52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.612 ' O ' HD12 ' A' ' 67' ' ' ILE . 13.6 pt20 -55.8 -45.89 78.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 61' ' ' ARG . 57.7 t -64.53 -50.26 76.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 69' ' ' MET . 10.4 tp -59.44 -55.88 29.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.44 -53.28 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -63.23 -40.81 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.837 ' HH2' HD22 ' A' ' 33' ' ' LEU . 75.5 t90 -51.6 -48.1 63.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.007 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.511 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.8 -53.37 57.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.3 t60 -58.75 -22.42 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -92.73 26.02 2.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 47.1 m-80 -145.62 -58.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 ptpt -40.23 138.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.83 -59.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.31 168.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 152.49 -138.35 6.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.08 4.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -149.05 136.16 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -106.03 98.43 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 87.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -164.85 122.08 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.82 -97.65 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 81.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -118.92 160.78 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.35 -169.59 36.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.86 164.99 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -108.04 131.64 21.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 172.49 16.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.91 153.25 42.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -82.53 -58.73 2.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.61 93.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.2 -163.53 38.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.98 172.0 37.16 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.9 p -114.35 162.97 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.737 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -169.63 99.37 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 -174.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? 66.72 70.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -126.03 117.04 22.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -175.73 39.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 p -131.05 143.69 50.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.29 121.98 35.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 16.5 m-85 -135.32 176.44 8.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.7 t -115.29 153.02 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.35 -54.23 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.86 -60.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' OE1' HG22 ' A' ' 60' ' ' VAL . 45.6 mt-30 -53.82 -48.94 69.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.611 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -56.26 -50.98 69.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -62.49 -47.42 84.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -47.94 77.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.7 mtm -63.74 -46.12 86.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.825 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.5 mm? -47.55 -47.7 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -76.18 -56.77 4.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 39' ' ' LEU . 76.0 t80 -36.62 -54.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.27 -62.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -39.57 -28.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -77.94 -49.91 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.55 6.64 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.21 29.07 73.94 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 94.1 m95 67.35 17.65 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.8 ttt180 -127.43 149.05 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG13 ' CE ' ' A' ' 69' ' ' MET . 53.1 mt -124.99 126.52 71.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.552 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 2.2 mt-30 -114.17 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -20.05 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.599 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 39.0 p-80 -86.01 -29.6 23.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.702 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.8 m-20 -82.65 -13.83 55.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.42 -24.66 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.8 t -88.65 -52.2 11.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.9 -30.08 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' ASP . 93.7 t -72.67 -39.8 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -72.32 -35.36 68.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -72.19 -37.26 69.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' A' ' 58' ' ' THR . 3.6 t80 -81.27 -48.11 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 33.9 m -50.09 -26.75 4.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.69 -61.66 1.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.98 -63.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 1.2 p -66.03 -50.91 62.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 55' ' ' CYS . . . 110.67 -2.88 29.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 64.3 t -71.92 144.7 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.631 ' HB2' HG23 ' A' ' 64' ' ' VAL . 80.4 mtt180 -79.99 155.89 27.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.527 ' HG3' HG11 ' A' ' 51' ' ' VAL . 4.4 ttt-85 -58.8 -43.24 90.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.676 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.2 pt20 -68.18 -41.83 80.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 61' ' ' ARG . 43.1 t -68.14 -48.12 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -42.13 98.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -68.27 -52.72 30.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 63' ' ' GLN . 18.8 mt -60.11 -26.61 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.825 ' HH2' HD22 ' A' ' 33' ' ' LEU . 24.3 t90 -75.97 -41.86 50.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 107.96 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.523 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 6.7 mtm -67.13 -39.58 86.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 -51.64 36.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.604 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 2.0 m-80 -51.65 -26.37 8.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.599 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 8.3 m-80 -83.14 -75.06 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -42.28 144.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 63.21 139.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.33 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.42 -149.06 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.97 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.6 p -78.19 130.65 36.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.6 t -98.97 -59.06 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -125.74 -58.46 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 56.36 82.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.55 71.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -138.92 107.43 5.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -53.48 -58.16 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.3 -143.97 19.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.57 101.75 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.15 130.41 23.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 162.11 37.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.38 92.46 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.52 109.94 3.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 m -74.65 78.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.15 -128.28 3.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.0 163.51 33.79 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -99.73 162.89 12.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 ' O ' HG22 ' A' ' 17' ' ' THR . 0.4 OUTLIER -170.96 103.4 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 68.78 -57.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' N ' ' CG ' ' A' ' 18' ' ' LYS . 36.3 mtt180 -44.97 169.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.04 136.03 41.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.97 130.79 36.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 17.1 p -82.3 147.41 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.29 121.7 34.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 33.5 m-85 -125.96 173.46 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 9.1 t -99.66 153.28 19.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.447 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.27 -58.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -38.51 -59.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' CG ' ' HB ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -50.26 -57.88 6.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.05 -51.57 61.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.87 -56.95 14.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -47.95 -50.7 26.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 9.3 mtm -59.23 -49.55 77.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.789 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -43.67 -45.26 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -81.38 -57.86 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.651 ' CD2' HD11 ' A' ' 39' ' ' LEU . 33.6 t80 -37.62 -49.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.32 -61.12 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -40.48 -32.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.4 mtp180 -73.74 -50.52 20.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.651 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -73.68 -8.28 55.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 78.89 26.29 58.64 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.563 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 98.7 m95 66.41 28.69 9.58 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.9 ptt180 -145.78 141.27 27.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG13 ' CE ' ' A' ' 69' ' ' MET . 86.8 mt -118.5 126.34 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 8.3 mt-30 -122.67 -174.71 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -34.19 72.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 24.4 p-80 -67.07 -38.24 85.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.1 m-20 -84.45 52.32 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.97 -61.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.94 -52.75 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.55 -36.56 4.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 47' ' ' ASP . 37.5 t -70.61 -45.52 73.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -65.22 -38.39 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -64.85 -39.58 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 35' ' ' PHE . 40.4 t80 -64.21 -49.59 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' GLY . 8.0 t -60.11 -48.55 81.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -22.97 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -72.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.5 ' HB ' ' CG ' ' A' ' 28' ' ' GLN . 2.0 p -66.58 -53.26 36.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.04 8.55 25.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -72.05 143.36 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.587 ' HB2' HG23 ' A' ' 64' ' ' VAL . 26.3 mtt180 -83.65 133.11 34.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -37.88 -48.15 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.58 ' O ' HD12 ' A' ' 67' ' ' ILE . 14.6 pt20 -61.23 -46.59 89.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.1 t -65.18 -46.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD21 ' HE2' ' A' ' 35' ' ' PHE . 16.8 tp -62.53 -52.45 63.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -52.98 62.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 63' ' ' GLN . 24.5 mt -61.3 -39.7 83.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.789 ' HH2' HD22 ' A' ' 33' ' ' LEU . 67.8 t90 -51.99 -49.53 63.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 108.016 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 35.5 mtm -63.69 -51.74 63.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -50.27 -42.4 52.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.571 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.66 -27.42 65.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.563 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 7.0 m-80 -77.71 -73.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' CE ' ' O ' ' A' ' 41' ' ' TRP . 0.5 OUTLIER -44.92 144.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 171.85 178.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 76' ' ' GLY . 0.6 OUTLIER 175.02 -174.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 75' ' ' SER . . . 37.87 92.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -53.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.26 138.7 31.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p 174.3 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -162.2 142.38 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -168.39 131.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.93 -63.82 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -47.1 117.01 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 0.726 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.89 154.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.82 -136.73 1.85 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 t -124.59 -42.97 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -122.11 101.33 41.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -144.17 171.81 13.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.0 m -81.19 -58.92 2.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.96 -61.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 53.12 -119.41 10.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -89.82 -83.71 1.34 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -72.48 162.97 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.54 -47.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -121.02 42.16 3.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -149.61 82.25 1.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -124.84 145.7 49.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -93.74 93.87 8.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 11.5 p -120.31 145.66 46.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -125.28 122.23 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 10.4 m-85 -122.75 172.14 8.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.0 t -102.39 152.77 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.453 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . -39.7 -58.53 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' ALA . 6.3 tp10 -36.61 -58.55 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.6 mt-30 -51.73 -58.24 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.69 -43.31 26.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -64.05 -50.15 69.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -53.16 57.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.5 mtm -60.35 -48.17 82.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.834 HD22 ' HH2' ' A' ' 68' ' ' TRP . 0.6 OUTLIER -42.01 -43.48 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -83.63 -57.6 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD1' ' CD2' ' A' ' 54' ' ' PHE . 7.8 t80 -36.94 -51.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -62.29 -48.11 81.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -52.64 -31.63 37.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -76.11 -50.35 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -74.12 -4.04 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 73.49 26.92 68.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.679 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 95.1 m95 66.76 24.51 9.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -146.07 143.1 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HG3' ' A' ' 66' ' ' LYS . 20.3 mt -106.2 135.38 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.38 -171.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 45' ' ' LYS . 1.2 mppt? -80.53 -7.91 59.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.6 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 21.5 p-80 -103.04 -28.92 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.581 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -74.83 -18.11 60.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.236 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -47.88 -25.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLU . 40.3 t -86.4 -63.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.81 10.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.03 -39.12 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' VAL . 0.6 OUTLIER -72.85 -41.08 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 1.5 mt-30 -65.09 -37.07 86.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.704 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 1.9 t80 -80.04 -43.77 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 29.0 m -55.45 -20.86 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.167 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.61 -57.66 3.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.58 -61.12 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 2.0 p -68.01 -51.26 49.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.23 1.36 31.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG23 ' NE2' ' A' ' 28' ' ' GLN . 74.3 t -72.25 143.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.575 ' HB2' HG23 ' A' ' 64' ' ' VAL . 9.2 mtt-85 -83.94 133.5 34.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.46 -50.68 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 67' ' ' ILE . 4.0 pt20 -57.92 -42.51 84.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 61' ' ' ARG . 62.3 t -68.69 -45.37 81.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.794 HD22 ' SD ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -61.3 -53.27 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.488 ' HG3' HD12 ' A' ' 43' ' ' ILE . 20.1 tttt -56.65 -47.04 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 63' ' ' GLN . 27.7 mt -66.94 -27.31 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.834 ' HH2' HD22 ' A' ' 33' ' ' LEU . 41.7 t90 -73.37 -48.6 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 107.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.794 ' SD ' HD22 ' A' ' 65' ' ' LEU . 6.0 mtp -65.0 -52.63 55.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.069 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -55.56 -51.8 65.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.572 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.1 m-80 -51.53 -40.71 60.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.679 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 5.8 m-80 -65.61 -70.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.19 159.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -59.11 95.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.94 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.79 -161.52 10.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.06 5.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.91 164.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.26 79.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -156.74 153.22 28.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.42 165.28 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.059 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.41 137.58 3.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -99.9 168.0 10.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.35 -57.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.47 127.78 42.47 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 178.49 146.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -112.42 124.92 30.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.61 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.8 m -132.81 111.45 11.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -161.04 93.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p 177.57 133.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.88 178.18 19.63 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.13 -104.13 1.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.6 p -121.88 162.91 20.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.572 HG22 ' N ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -168.54 -61.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.572 ' N ' HG22 ' A' ' 17' ' ' THR . 6.8 pttt -175.8 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . 25.1 mtp180 -112.28 99.69 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -87.01 134.63 33.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 104.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.2 p -76.19 146.72 38.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -125.09 115.68 20.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -114.32 164.24 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -90.34 151.7 21.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.43 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.28 -59.47 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.2 tt0 -38.77 -56.44 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' NE2' HG23 ' A' ' 60' ' ' VAL . 2.4 mt-30 -53.25 -57.7 9.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.16 -48.01 54.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -60.42 -51.84 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -53.27 -50.81 64.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.552 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 3.7 mtp -59.76 -51.05 71.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.79 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.4 mm? -43.2 -45.67 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 37' ' ' GLU . . . -79.27 -58.36 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 54' ' ' PHE . 5.4 t80 -38.46 -51.88 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -62.71 -44.99 94.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' ALA . 2.8 mm-40 -54.81 -32.3 60.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.349 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -73.23 -50.25 23.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -73.71 -11.93 60.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 83.28 27.3 40.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.556 1.16 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 99.1 m95 66.67 30.29 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 2.8 ptp180 -145.84 147.26 31.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.478 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 80.4 mt -122.74 120.71 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -100.78 -149.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -91.3 -29.41 17.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 55.4 p-80 -80.13 -26.56 39.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.611 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.79 -16.94 58.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -47.33 -42.22 20.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLU . 67.2 t -70.77 -65.87 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.0 -32.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.0 t -64.84 -50.64 74.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 4.4 pt-20 -62.26 -44.03 97.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -59.08 -32.2 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 71.3 t80 -73.89 -41.23 62.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLY . 30.6 t -62.9 -47.03 85.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 108.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.6 -25.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.65 -73.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 18.1 p -62.83 -53.54 52.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 111.08 0.94 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.523 HG12 ' HB2' ' A' ' 65' ' ' LEU . 80.4 t -71.86 135.81 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' CD ' ' H ' ' A' ' 61' ' ' ARG . 4.2 mpt_? -78.06 157.64 29.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -60.32 -38.19 82.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.6 ' O ' HD12 ' A' ' 67' ' ' ILE . 7.1 pt20 -71.57 -44.54 64.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' N ' ' CG ' ' A' ' 63' ' ' GLN . 61.9 t -67.63 -43.42 86.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HB2' HG12 ' A' ' 60' ' ' VAL . 21.6 tp -65.32 -50.39 65.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -52.66 64.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.6 HD12 ' O ' ' A' ' 63' ' ' GLN . 31.3 mt -60.13 -33.04 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.79 ' HH2' HD22 ' A' ' 33' ' ' LEU . 84.5 t90 -62.43 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.478 ' HE3' ' CD1' ' A' ' 43' ' ' ILE . 1.9 mtt -59.18 -44.19 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -76.82 -7.25 55.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.28 -13.91 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 62.4 m-80 -114.02 -57.66 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 41' ' ' TRP . 5.9 ptpt -39.57 136.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.01 145.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -77.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.14 -153.01 8.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.6 p 42.33 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.42 96.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -73.08 -58.66 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.798 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.13 92.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.76 163.87 54.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 p -100.04 152.53 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -175.64 133.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.58 68.52 0.5 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.57 169.63 16.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -94.03 148.68 35.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.79 83.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.2 m -142.05 171.42 14.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.4 ' C ' ' OE1' ' A' ' 63' ' ' GLN . 1.1 t -128.39 163.93 23.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' N ' ' OE1' ' A' ' 63' ' ' GLN . . . 104.22 -159.95 16.1 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.96 86.95 0.88 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.699 HG23 ' HB2' ' A' ' 20' ' ' PHE . 27.0 m -105.56 152.16 23.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.742 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -163.5 -43.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.375 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -157.05 -45.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.56 102.03 7.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.699 ' HB2' HG23 ' A' ' 16' ' ' THR . 84.8 t80 -113.34 125.23 54.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.05 157.48 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.526 HG21 HG13 ' A' ' 64' ' ' VAL . 1.5 p -120.17 147.64 44.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.85 121.58 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.709 ' HE2' HG21 ' A' ' 60' ' ' VAL . 3.8 m-85 -112.01 175.24 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' ALA . 10.2 t -113.63 158.96 20.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.441 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -39.41 -56.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -45.18 -52.99 8.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 70.5 mt-30 -63.8 -49.72 71.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.912 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -51.56 -38.9 56.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -80.43 -51.5 8.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.07 -45.32 75.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.639 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 59.7 mtm -66.35 -45.83 78.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.912 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.3 -43.27 10.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' PHE . . . -82.22 -58.79 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.768 ' CD2' HD11 ' A' ' 39' ' ' LEU . 46.4 t80 -37.09 -53.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -58.05 -60.99 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.15 -33.52 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' ALA . 4.6 mtt180 -73.91 -54.2 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.768 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -70.68 -8.61 53.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 77.99 25.11 62.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 97.6 m95 67.45 28.2 7.77 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 39' ' ' LEU . 27.6 ptt-85 -146.03 131.47 18.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HG21 ' A' ' 51' ' ' VAL . 95.0 mt -109.51 129.74 63.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 10.5 mt-30 -120.09 -172.14 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -65.25 -32.59 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 25.9 p-80 -72.39 -31.97 66.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 1.8 m-20 -90.27 48.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -42.0 8.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' GLU . 75.3 t -72.7 -55.39 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.07 -35.08 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG21 HG21 ' A' ' 43' ' ' ILE . 3.6 t -69.69 -41.89 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' VAL . 5.6 mm-40 -72.31 -37.8 68.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -22.0 63.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 19.6 t80 -81.23 -66.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 59' ' ' GLY . 18.4 t -45.12 -53.19 8.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 108.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.9 4.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -90.26 -73.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -52.78 -53.28 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.409 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 110.85 4.23 28.01 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.709 HG21 ' HE2' ' A' ' 24' ' ' PHE . 2.6 p -88.32 122.84 40.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -58.53 172.12 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -66.56 -66.12 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.613 ' O ' HD12 ' A' ' 67' ' ' ILE . 8.5 pt20 -45.1 -41.7 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 96.6 t -67.43 -53.57 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 35' ' ' PHE . 26.8 tp -57.18 -43.3 82.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.11 -52.48 27.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.1 mt -51.53 -30.65 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.822 ' HH2' HD22 ' A' ' 33' ' ' LEU . 91.5 t90 -64.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.52 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 40.7 mtm -51.85 -42.78 62.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -69.07 -7.47 36.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -110.94 -6.56 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 64.1 m-80 -128.93 34.52 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptpt -121.58 166.44 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.88 92.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.49 -169.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.15 142.73 4.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.5 m -144.1 95.02 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 151.19 40.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -114.4 -58.5 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.19 104.51 7.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.09 66.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -90.59 145.74 24.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 0.733 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.61 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.42 61.04 0.41 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.5 p -147.99 150.87 34.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 0.0 110.036 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -107.89 151.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 176.99 9.16 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 153.99 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 151.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -135.24 -58.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.06 -175.48 39.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -163.12 58.92 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 p -85.97 162.92 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.593 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -168.02 -45.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.593 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER 179.23 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -40.31 147.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' ARG . 14.8 p90 -112.62 147.07 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HB2' ' CD2' ' A' ' 20' ' ' PHE . 0.0 OUTLIER 72.16 152.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.1 p -67.36 144.89 55.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.19 121.12 33.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CZ ' HG11 ' A' ' 64' ' ' VAL . 10.6 m-85 -122.08 177.01 5.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.1 t -103.54 157.91 16.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.07 -57.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -42.57 -63.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.1 mt-30 -44.96 -55.65 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -50.05 -66.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -47.54 -47.2 28.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -54.71 -48.37 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 68' ' ' TRP . 1.0 OUTLIER -61.17 -49.64 76.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.2 mm? -43.78 -47.6 8.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -74.21 -59.63 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.79 ' CD2' HD11 ' A' ' 39' ' ' LEU . 8.6 t80 -38.65 -60.46 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 39' ' ' LEU . . . -54.46 -53.87 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 37' ' ' GLU . 2.0 mm-40 -47.6 -36.4 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 2.9 mtp180 -71.87 -48.11 48.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.89 0.2 24.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 71.44 26.85 72.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.479 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 95.4 m95 66.83 24.59 9.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -146.03 143.24 29.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.564 1.165 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 47' ' ' ASP . 41.8 mt -108.15 144.33 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 15.2 mt-30 -123.74 -173.27 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -78.42 -6.73 56.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 49.4 p-80 -102.86 -23.99 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.566 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HB2' HG23 ' A' ' 43' ' ' ILE . 15.1 m-20 -82.08 -11.61 58.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -46.89 -33.67 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLU . 32.3 t -69.98 -70.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -42.99 -44.41 4.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.6 HG11 ' HD2' ' A' ' 62' ' ' ARG . 4.8 t -53.52 -44.3 55.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' VAL . 3.7 mm-40 -66.81 -44.08 82.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.96 -48.91 74.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CZ ' HG21 ' A' ' 58' ' ' THR . 25.6 t80 -64.63 -64.46 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -38.37 -33.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.34 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -79.81 -67.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -44.27 -68.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -62.11 -53.48 54.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.37 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 55' ' ' CYS . . . 113.94 14.72 9.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.572 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -85.68 160.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.753 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.708 ' HB2' HG23 ' A' ' 64' ' ' VAL . 5.1 mmt180 -99.75 138.73 36.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.6 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -37.21 -61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.351 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 11.8 pt20 -54.07 -46.73 72.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.708 HG23 ' HB2' ' A' ' 61' ' ' ARG . 85.8 t -55.42 -50.0 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' CE2' ' A' ' 35' ' ' PHE . 37.2 tp -63.06 -58.12 8.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -52.51 -47.42 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 58.1 mt -66.98 -33.03 60.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 83.4 t90 -62.26 -50.36 72.04 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -53.28 -45.45 68.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -75.36 -14.49 60.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.83 -15.26 30.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' ND2' ' CE2' ' A' ' 68' ' ' TRP . 51.8 m-80 -113.51 -59.75 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.99 153.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -148.51 164.13 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.398 1.061 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.26 -175.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 37.39 -145.09 0.13 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 66.34 6.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 p -90.4 -58.26 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 t -147.41 -58.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.152 . . . . 0.0 111.032 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -131.48 -78.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 0.731 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -140.41 -58.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -133.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 62.32 105.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.65 -60.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.15 142.83 45.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 m -138.78 -59.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -134.68 134.78 22.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 m -147.65 145.21 28.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.3 160.58 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.6 p -138.2 112.66 8.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.5 168.87 22.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 172.0 -59.82 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -67.47 162.91 22.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -161.78 134.37 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 39.24 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.6 -179.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -88.89 136.14 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.67 163.93 6.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.477 HG21 HG22 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -51.47 145.27 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -125.64 126.7 45.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.695 ' HE2' HG21 ' A' ' 60' ' ' VAL . 3.9 m-85 -110.37 175.83 5.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' ALA . 8.8 t -112.68 157.71 20.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.9 -57.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 1.9 mt-10 -43.71 -57.37 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HG2' ' CG2' ' A' ' 58' ' ' THR . 80.2 mt-30 -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.874 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.3 mtpt -51.62 -38.45 54.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -82.13 -50.9 8.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.15 -43.82 74.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.64 ' CE ' ' CD2' ' A' ' 24' ' ' PHE . 55.5 mtm -66.76 -45.82 77.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -45.53 -39.97 8.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.71 ' CE2' HD21 ' A' ' 65' ' ' LEU . 37.8 t80 -37.47 -47.85 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' SD ' ' A' ' 69' ' ' MET . . . -63.58 -59.93 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -42.3 -29.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -78.44 -53.44 7.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.709 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -69.53 -14.94 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 85.76 24.55 41.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.49 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 96.6 m95 67.25 25.69 8.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 42' ' ' ARG . 4.4 ptm85 -145.95 135.66 23.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 97.2 mt -112.31 128.28 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -121.18 -166.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -68.02 -33.03 73.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' NE2' ' OD1' ' A' ' 47' ' ' ASP . 28.5 p-80 -70.03 -32.71 70.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 109.633 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 11.1 m-20 -90.4 49.92 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.66 -47.42 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 58.6 t -72.18 -57.09 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.343 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.23 -36.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.102 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -68.35 -48.65 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -65.73 -34.89 79.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -63.32 -24.93 68.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' HE2' HG11 ' A' ' 60' ' ' VAL . 20.1 t80 -79.74 -65.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' GLY . 19.6 t -47.95 -53.51 15.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.87 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -89.15 -74.56 0.47 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.502 ' CG2' ' HG2' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -55.58 -54.71 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 112.49 11.32 15.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG21 ' HE2' ' A' ' 24' ' ' PHE . 3.5 p -92.66 121.2 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -56.18 169.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -66.16 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.618 ' O ' HD12 ' A' ' 67' ' ' ILE . 12.1 pt20 -44.67 -42.79 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG12 ' CZ ' ' A' ' 24' ' ' PHE . 90.7 t -66.56 -57.11 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.71 HD21 ' CE2' ' A' ' 35' ' ' PHE . 28.4 tp -54.27 -44.08 71.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.9 -52.57 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 63' ' ' GLN . 17.7 mt -51.29 -35.27 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.821 ' HH2' HD22 ' A' ' 33' ' ' LEU . 90.8 t90 -58.41 -64.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.518 ' SD ' ' CB ' ' A' ' 36' ' ' ALA . 56.9 mtm -49.46 -50.56 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -61.68 -14.19 29.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.578 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 67' ' ' ILE . 1.7 m-80 -101.78 -10.87 19.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' ND2' ' CD2' ' A' ' 68' ' ' TRP . 70.2 m-80 -121.46 11.24 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' MET . 6.2 ptmm? -98.11 -22.45 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' SER . 3.8 m-80 -179.88 110.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.5 OUTLIER 165.25 -174.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.958 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.14 -93.86 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 98.87 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 t -178.94 151.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -121.34 88.85 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -157.97 112.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.43 107.96 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.43 126.18 24.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 p -179.72 160.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.14 145.82 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.14 77.08 0.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.74 90.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -126.38 153.16 74.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -39.33 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -133.46 155.29 49.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 m 60.69 119.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.8 t -173.31 140.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -120.99 -127.9 3.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.23 59.31 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.6 p -82.94 163.03 21.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.49 -42.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 pttm -174.67 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.67 128.05 35.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -117.43 143.39 46.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 168.61 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.549 HG21 HG13 ' A' ' 64' ' ' VAL . 19.1 p -44.02 147.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -125.71 121.77 34.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.602 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 11.0 m-85 -126.77 176.81 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.7 t -95.62 157.97 15.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.68 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.32 -67.15 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 1.9 mt-30 -40.54 -56.55 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -52.0 -44.64 64.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.53 -53.89 50.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' ' HE2' ' A' ' 31' ' ' LYS . 6.7 mmpt? -52.19 -57.86 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 54' ' ' PHE . 9.0 mtm -54.3 -52.82 60.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.806 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.1 mm? -40.63 -45.64 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -82.21 -59.18 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.74 ' CD2' HD11 ' A' ' 39' ' ' LEU . 18.4 t80 -40.31 -53.55 2.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.13 -38.49 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.7 mtp180 -69.03 -46.23 68.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -77.33 -5.72 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 76.83 25.4 64.8 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.544 ' CZ3' ' CZ3' ' A' ' 68' ' ' TRP . 94.6 m95 67.31 26.59 8.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -146.39 148.59 32.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.534 HG13 ' HE2' ' A' ' 69' ' ' MET . 54.6 mt -118.47 125.61 74.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 6.5 mt-30 -114.47 -173.67 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -65.2 -25.28 67.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.576 ' CE1' ' HB2' ' A' ' 44' ' ' GLN . 29.4 p-80 -77.23 -33.52 56.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 46' ' ' HIS . 20.9 m-20 -88.3 51.95 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.88 -54.55 3.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 52' ' ' GLU . 27.0 t -67.1 -56.29 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.86 5.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.33 -46.48 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 53' ' ' GLN . 1.9 pt-20 -62.62 -37.63 87.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -61.84 -51.88 66.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.584 ' HE1' HG11 ' A' ' 60' ' ' VAL . 26.2 t80 -64.33 -64.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 58.7 m -39.86 -30.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' N ' ' C ' ' A' ' 54' ' ' PHE . . . -85.31 -64.26 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -44.97 -66.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.507 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.62 -50.13 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.5 15.61 9.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.447 1.092 . . . . 0.0 111.057 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.584 HG11 ' HE1' ' A' ' 54' ' ' PHE . 1.3 m -88.62 161.59 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.7 ' HB2' HG23 ' A' ' 64' ' ' VAL . 2.9 mmt-85 -101.04 136.73 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -36.21 -59.64 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.535 ' O ' HD12 ' A' ' 67' ' ' ILE . 6.2 pt20 -55.04 -42.95 73.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' A' ' 61' ' ' ARG . 91.0 t -61.75 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 35' ' ' PHE . 31.8 tp -59.88 -55.62 31.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -53.19 -53.97 42.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 HD12 ' O ' ' A' ' 63' ' ' GLN . 20.4 mt -60.25 -38.37 77.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.806 ' HH2' HD22 ' A' ' 33' ' ' LEU . 72.7 t90 -56.95 -51.25 69.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.534 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -52.68 -49.12 65.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.53 -24.11 67.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.627 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -92.27 34.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 53.8 m-80 -153.16 -59.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -40.29 -35.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -117.69 -61.38 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.96 -74.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.36 -147.56 5.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 71.22 5.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.4 t -121.32 97.18 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.97 151.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -111.28 145.68 38.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.53 83.68 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.82 120.92 5.68 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -86.77 152.99 22.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 110.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -165.83 86.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.1 -133.44 3.72 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.15 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -126.14 119.23 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -126.62 101.88 26.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.71 41.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.7 t -90.35 -59.1 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -94.26 121.24 35.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 p -171.45 84.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 135.96 154.71 6.98 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.74 157.4 16.19 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -79.14 163.04 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.418 HG22 ' CG ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -170.29 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' CG ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -175.64 65.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 -139.49 136.03 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.23 128.2 39.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -160.4 146.53 15.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.943 HG21 HG13 ' A' ' 64' ' ' VAL . 35.5 p -76.25 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -125.13 119.98 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.684 ' HZ ' HG11 ' A' ' 64' ' ' VAL . 13.3 m-85 -130.87 177.22 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 26' ' ' ALA . 5.5 t -99.62 158.68 15.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' THR . . . -37.62 -57.01 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -41.94 -67.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 24' ' ' PHE . 2.2 mt-30 -44.89 -56.15 4.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -66.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.4 -44.12 44.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.563 ' HE2' ' CG ' ' A' ' 68' ' ' TRP . 1.7 mtp -64.2 -50.51 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.846 HD22 ' HH2' ' A' ' 68' ' ' TRP . 1.8 mm? -43.01 -49.51 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.439 ' O ' ' CG ' ' A' ' 38' ' ' ARG . . . -71.39 -59.9 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.831 ' CE2' HD21 ' A' ' 65' ' ' LEU . 22.8 t80 -37.53 -62.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' GLY . . . -53.31 -54.65 33.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 2.2 mm-40 -46.44 -35.07 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 3.0 mtp180 -72.81 -46.16 54.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.73 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -83.32 6.39 19.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 65.01 28.6 73.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.576 ' CZ3' ' CB ' ' A' ' 72' ' ' ASN . 92.7 m95 67.31 13.94 9.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 43' ' ' ILE . 1.7 ttt180 -129.08 148.41 51.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 51' ' ' VAL . 41.4 mt -118.17 133.33 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . 5.4 mt-30 -115.32 -173.13 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -73.48 -19.25 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.595 ' CE1' ' OD1' ' A' ' 47' ' ' ASP . 37.1 p-80 -87.41 -26.69 23.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 46' ' ' HIS . 0.8 OUTLIER -80.31 -14.63 58.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -44.91 -26.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLU . 37.4 t -82.04 -65.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 -42.44 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 t -55.16 -42.38 65.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 53' ' ' GLN . 0.7 OUTLIER -69.08 -45.97 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 1.6 mt-30 -49.93 -49.47 49.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 58' ' ' THR . 20.2 t80 -68.75 -63.54 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 1.0 OUTLIER -37.75 -33.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 108.321 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' PHE . . . -84.5 -66.34 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.77 -69.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -60.86 -50.94 71.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.43 10.6 14.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG11 ' HE1' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -81.82 161.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HB2' HG23 ' A' ' 64' ' ' VAL . 8.0 mmt180 -98.89 137.06 38.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.9 tmm_? -36.55 -60.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.439 ' CG ' ' N ' ' A' ' 64' ' ' VAL . 11.6 pt20 -54.87 -46.78 74.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.943 HG13 HG21 ' A' ' 22' ' ' THR . 81.4 t -55.46 -49.85 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.831 HD21 ' CE2' ' A' ' 35' ' ' PHE . 23.5 tp -61.5 -56.75 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -54.05 -53.51 52.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 63' ' ' GLN . 49.1 mt -59.5 -36.33 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.846 ' HH2' HD22 ' A' ' 33' ' ' LEU . 76.1 t90 -61.01 -48.09 83.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.493 ' HE2' HG13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -56.67 -49.57 74.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -62.5 -23.83 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.611 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.55 26.52 2.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.576 ' CB ' ' CZ3' ' A' ' 41' ' ' TRP . 27.1 m-80 -142.11 -65.8 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 74' ' ' ASN . 2.0 ptpt -44.18 -39.81 4.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 17.7 m-80 -73.26 106.62 5.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -171.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 130.48 157.42 8.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 69.63 5.51 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.513 1.797 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -58.64 4.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.2 t -172.3 142.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 stop_ save_