data_2adl_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 2adl _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.721 0.296 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' B' ' 110' ' ' ASP . 0.0 OUTLIER -131.87 154.75 48.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.593 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 2.1 tt0 -125.07 118.8 26.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 3.6 ttt180 -87.78 100.68 13.03 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.512 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.578 ' CD1' ' CD1' ' B' ' 114' ' ' TYR . 0.7 OUTLIER -94.44 118.63 40.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.485 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 0.2 OUTLIER -131.14 112.42 12.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -176.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 ' O ' HG21 ' B' ' 105' ' ' ILE . 1.7 p -99.67 90.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.352 -1.294 . . . . 0.0 108.165 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 2.0 p -58.96 88.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.14 0.495 . . . . 0.0 109.681 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 12' ' ' ASP . 65.7 t -80.76 -109.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.552 ' HB2' ' N ' ' B' ' 103' ' ' GLN . 2.2 t70 74.65 -25.43 0.2 Allowed 'General case' 0 C--N 1.346 0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' H ' ' C ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -118.19 -44.97 2.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.581 ' HB2' HG13 ' A' ' 9' ' ' VAL . 3.9 m-20 -64.59 171.16 3.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.562 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.13 -18.78 65.56 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CG ' HG23 ' B' ' 105' ' ' ILE . 0.7 OUTLIER -40.05 -57.17 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.789 0.804 . . . . 0.0 110.145 178.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -50.18 -33.76 20.3 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.83 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -58.44 -46.62 86.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.239 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB3' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -63.05 -49.76 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.618 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.613 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.81 -25.24 61.91 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.519 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLN . . . -63.14 -24.13 67.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.673 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.779 ' HD2' ' CD1' ' B' ' 139' ' ' LEU . 0.3 OUTLIER -127.9 9.59 6.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.924 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.1 m-20 166.62 65.97 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 3.6 p -60.83 69.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.194 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' ASP . 3.1 t-20 -149.89 63.27 0.99 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.46 -1.7 . . . . 0.0 107.03 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.66 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -131.95 -27.56 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.568 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.039 -177.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -42.3 -44.49 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.95 -35.07 71.67 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 tt -59.42 -43.0 93.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.599 ' O ' ' HG2' ' A' ' 32' ' ' MET . 24.9 t -41.93 -58.2 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.858 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.685 ' O ' ' HB2' ' B' ' 113' ' ' SER . 56.5 p -67.89 -19.62 65.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.312 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' LEU . 39.3 m -75.09 -46.88 31.64 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -56.87 -25.15 56.1 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.987 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.891 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.0 OUTLIER -80.11 -25.59 39.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.607 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -68.3 -44.58 75.15 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.76 -43.09 94.42 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.729 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -68.09 -40.1 82.71 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' MET . . . -53.0 -52.67 57.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.643 178.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -53.49 57.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.933 0.873 . . . . 0.0 109.357 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -52.1 -54.7 27.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.807 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -49.05 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.483 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.52 75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.628 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 69.08 24.24 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.194 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -163.44 153.69 15.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -131.68 -70.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -137.38 -76.14 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.975 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm 63.48 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.03 112.23 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -167.95 -50.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.99 122.89 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -134.07 135.39 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 64.31 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.92 -26.98 18.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.584 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -103.48 132.09 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.04 91.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.36 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.11 -1.46 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.11 0.481 . . . . 0.0 111.705 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.48 95.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.225 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -177.35 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.08 38.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mt -124.88 -64.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 43.98 33.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.575 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.8 mtt 60.84 100.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -75.97 -29.02 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.51 69.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.0 p -148.49 111.5 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -134.95 147.76 49.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.48 31.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.43 31.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 60.97 73.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.8 161.23 41.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.54 43.8 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -48.13 176.39 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.049 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.575 0 CA-C-N 113.371 -1.741 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -120.56 157.44 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.552 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 48.9 tp60 -118.25 119.64 35.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ARG . . . . . 0.417 ' NH2' HG23 ' A' ' 6' ' ' THR . 24.0 ttt-85 -88.64 101.6 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.12 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . 0.589 HG23 ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -94.55 109.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.199 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.485 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -116.7 109.36 17.06 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.126 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . 0.493 ' O ' HG21 ' B' ' 109' ' ' VAL . 0.2 OUTLIER -100.82 82.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.246 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -58.32 96.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.729 ' CG1' ' HB3' ' B' ' 114' ' ' TYR . 60.5 t -86.38 -112.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.126 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . 0.593 ' HB2' ' N ' ' A' ' 3' ' ' GLN . 47.0 t0 77.01 -36.16 0.24 Allowed 'General case' 0 C--N 1.343 0.301 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . 0.539 ' H ' ' C ' ' B' ' 109' ' ' VAL . 0.4 OUTLIER -106.69 -42.55 4.94 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.198 178.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . 0.617 ' HB2' HG12 ' B' ' 109' ' ' VAL . 0.9 OUTLIER -67.69 170.86 7.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.187 179.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.685 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -65.55 -18.6 65.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' TYR . . . . . 0.891 ' HA ' ' HG3' ' A' ' 32' ' ' MET . 2.0 t80 -39.87 -54.24 2.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.697 0.76 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLN . . . . . 0.515 ' HA ' ' CG ' ' B' ' 118' ' ' LYS . 0.0 OUTLIER -50.2 -40.67 47.93 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.392 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -39.39 76.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.109 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' B' ' 124' ' ' ILE . 0.3 OUTLIER -73.3 -42.32 62.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.141 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' B' ' 122' ' ' VAL . 1.4 pttp -79.84 -25.83 40.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 111.568 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' B' ' 115' ' ' GLN . . . -74.49 -11.95 60.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.826 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . 0.701 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -132.73 3.99 3.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.235 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.5 OUTLIER 167.98 62.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.651 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.9 p -58.41 71.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.409 1.1 . . . . 0.0 111.353 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.2 t-20 -149.38 65.85 1.01 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.077 -1.874 . . . . 0.0 106.281 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ILE . . . . . 0.623 ' O ' ' HB3' ' B' ' 127' ' ' LEU . 0.2 OUTLIER -131.47 -31.52 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.742 -177.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' SER . . . . . 0.468 ' C ' ' O ' ' B' ' 124' ' ' ILE . 4.1 p -39.99 -50.27 2.53 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.502 0.668 . . . . 0.0 109.21 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.62 93.18 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.623 ' HB3' ' O ' ' B' ' 124' ' ' ILE . 6.3 tp -53.85 -44.07 70.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.833 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' VAL . . . . . 0.446 HG22 ' CG1' ' A' ' 28' ' ' VAL . 6.4 t -46.18 -56.59 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.284 0.564 . . . . 0.0 110.079 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -67.43 -19.96 65.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.904 178.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 99.1 m -83.61 -53.84 5.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.987 0.422 . . . . 0.0 110.442 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.04 -36.3 49.86 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.416 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 136' ' ' ALA . 0.4 OUTLIER -74.11 -24.94 59.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.293 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' B' ' 137' ' ' ARG . 0.6 OUTLIER -64.03 -53.01 56.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -53.34 -38.06 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . 0.403 ' O ' ' CD2' ' B' ' 139' ' ' LEU . 14.4 mt-10 -74.13 -35.9 64.13 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -57.4 -48.49 78.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.864 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' B' ' 133' ' ' GLN . 12.9 mmm180 -65.96 -56.38 12.02 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 122.221 1.01 . . . . 0.0 109.625 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -22.96 12.61 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.339 -1.755 . . . . 0.0 112.138 -177.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LEU . . . . . 0.779 ' CD1' ' HD2' ' A' ' 20' ' ' TYR . 1.9 mt -45.51 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.875 0.369 . . . . 0.0 111.232 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 4.32 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.446 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . 59.27 109.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.319 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.95 -170.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -108.94 30.02 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.35 107.88 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -154.62 -69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.07 119.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 60.38 178.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.89 -171.47 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -58.15 123.3 15.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -100.93 172.28 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 97.78 25.08 10.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.607 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.7 mtm -76.12 122.2 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.43 119.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.47 -34.73 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 4.0 t -124.43 -125.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.5 40.03 0.1 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.905 0.383 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.83 152.35 23.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.88 38.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 19.9 mm -129.86 79.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -31.2 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' MET . . . . . . . . . . . . . 50.4 mtp -146.81 180.0 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.64 -29.08 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 157.99 -36.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -57.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.17 166.27 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.81 85.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.85 29.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.7 140.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -160.23 141.76 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.07 42.54 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -38.54 98.41 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.966 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.721 0.296 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' HB2' HG23 ' B' ' 108' ' ' THR . 0.0 OUTLIER -131.87 154.75 48.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.621 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 2.1 tt0 -125.07 118.8 26.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.529 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 3.6 ttt180 -87.78 100.68 13.03 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.512 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.803 HG12 HG13 ' B' ' 107' ' ' VAL . 0.7 OUTLIER -94.44 118.63 40.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' B' ' 104' ' ' ARG . 0.2 OUTLIER -131.14 112.42 12.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -176.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.7 p -99.67 90.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.352 -1.294 . . . . 0.0 108.165 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 2.0 p -58.96 88.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.14 0.495 . . . . 0.0 109.681 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.934 HG21 ' CB ' ' A' ' 14' ' ' TYR . 65.7 t -80.76 -109.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' N ' HG12 ' A' ' 9' ' ' VAL . 2.2 t70 74.65 -25.43 0.2 Allowed 'General case' 0 C--N 1.346 0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -118.19 -44.97 2.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' HB2' HG13 ' A' ' 9' ' ' VAL . 3.9 m-20 -64.59 171.16 3.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.13 -18.78 65.56 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.934 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -40.05 -57.17 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.789 0.804 . . . . 0.0 110.145 178.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -50.18 -33.76 20.3 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.83 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -58.44 -46.62 86.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.239 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.68 ' HG ' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -63.05 -49.76 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.618 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.81 -25.24 61.91 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.519 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -63.14 -24.13 67.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.673 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.779 ' HD2' ' CD1' ' B' ' 139' ' ' LEU . 0.3 OUTLIER -127.9 9.59 6.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.924 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.1 m-20 166.62 65.97 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 3.6 p -60.83 69.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.194 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' ASP . 3.1 t-20 -149.89 63.27 0.99 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.46 -1.7 . . . . 0.0 107.03 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.893 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -131.95 -27.56 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.568 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.039 -177.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -42.3 -44.49 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.95 -35.07 71.67 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 tt -59.42 -43.0 93.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.783 HG13 HG22 ' B' ' 128' ' ' VAL . 24.9 t -41.93 -58.2 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.858 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' B' ' 113' ' ' SER . 56.5 p -67.89 -19.62 65.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.312 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' LEU . 39.3 m -75.09 -46.88 31.64 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -56.87 -25.15 56.1 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.987 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.93 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.0 OUTLIER -80.11 -25.59 39.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.607 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -68.3 -44.58 75.15 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.76 -43.09 94.42 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.709 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -68.09 -40.1 82.71 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' B' ' 116' ' ' LEU . . . -53.0 -52.67 57.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.643 178.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -53.49 57.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.933 0.873 . . . . 0.0 109.357 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -52.1 -54.7 27.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.807 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.716 ' HG ' ' CE2' ' B' ' 120' ' ' TYR . 0.0 OUTLIER -49.05 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.483 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -174.52 75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.628 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 40' ' ' ARG . . . 69.08 24.24 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.194 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -163.44 153.69 15.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -131.68 -70.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -137.38 -76.14 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.975 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm 63.48 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.03 112.23 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -167.95 -50.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.99 122.89 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -134.07 135.39 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 64.31 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.92 -26.98 18.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.584 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -103.48 132.09 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.04 91.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.36 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 55' ' ' VAL . 21.5 t -93.11 -1.46 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.11 0.481 . . . . 0.0 111.705 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.48 95.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.225 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -177.35 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.08 38.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 61' ' ' MET . 4.6 mt -124.88 -64.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 43.98 33.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.575 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.464 ' H ' HG22 ' A' ' 59' ' ' ILE . 6.8 mtt 60.84 100.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -75.97 -29.02 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.51 69.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.0 p -148.49 111.5 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -134.95 147.76 49.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.48 31.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.43 31.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 60.97 73.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.8 161.23 41.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.54 43.8 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -48.13 176.39 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.049 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.575 0 CA-C-N 113.371 -1.741 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -120.56 157.44 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.586 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 48.9 tp60 -118.25 119.64 35.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ARG . . . . . 0.7 ' CZ ' HG21 ' A' ' 6' ' ' THR . 24.0 ttt-85 -88.64 101.6 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.12 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -94.55 109.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -116.7 109.36 17.06 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.803 HG13 HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -100.82 82.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.246 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -58.32 96.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 1.059 HG21 ' CB ' ' B' ' 114' ' ' TYR . 60.5 t -86.38 -112.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.126 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . 0.687 ' N ' HG12 ' B' ' 109' ' ' VAL . 47.0 t0 77.01 -36.16 0.24 Allowed 'General case' 0 C--N 1.343 0.301 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . 0.518 ' H ' ' C ' ' B' ' 109' ' ' VAL . 0.4 OUTLIER -106.69 -42.55 4.94 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.198 178.526 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . 0.789 ' HB2' HG13 ' B' ' 109' ' ' VAL . 0.9 OUTLIER -67.69 170.86 7.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.187 179.055 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -65.55 -18.6 65.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' TYR . . . . . 1.059 ' CB ' HG21 ' B' ' 109' ' ' VAL . 2.0 t80 -39.87 -54.24 2.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.697 0.76 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLN . . . . . 0.543 ' HA ' ' CG ' ' B' ' 118' ' ' LYS . 0.0 OUTLIER -50.2 -40.67 47.93 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.392 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -57.67 -39.39 76.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.109 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' B' ' 124' ' ' ILE . 0.3 OUTLIER -73.3 -42.32 62.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.141 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LYS . . . . . 0.68 ' HA ' ' HA ' ' B' ' 122' ' ' VAL . 1.4 pttp -79.84 -25.83 40.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 111.568 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 115' ' ' GLN . . . -74.49 -11.95 60.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.826 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' TYR . . . . . 0.716 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -132.73 3.99 3.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.235 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.5 OUTLIER 167.98 62.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.68 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.9 p -58.41 71.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.409 1.1 . . . . 0.0 111.353 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.2 t-20 -149.38 65.85 1.01 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.077 -1.874 . . . . 0.0 106.281 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ILE . . . . . 0.947 ' H ' HD13 ' B' ' 124' ' ' ILE . 0.2 OUTLIER -131.47 -31.52 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.742 -177.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 125' ' ' SER . . . . . 0.468 ' C ' ' O ' ' B' ' 124' ' ' ILE . 4.1 p -39.99 -50.27 2.53 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.502 0.668 . . . . 0.0 109.21 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.62 93.18 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.631 ' HB3' ' O ' ' B' ' 124' ' ' ILE . 6.3 tp -53.85 -44.07 70.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.833 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' VAL . . . . . 0.783 HG22 HG13 ' A' ' 28' ' ' VAL . 6.4 t -46.18 -56.59 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.284 0.564 . . . . 0.0 110.079 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' SER . . . . . 0.57 ' HB3' ' H ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -67.43 -19.96 65.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.904 178.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 99.1 m -83.61 -53.84 5.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.987 0.422 . . . . 0.0 110.442 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.04 -36.3 49.86 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.416 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 136' ' ' ALA . 0.4 OUTLIER -74.11 -24.94 59.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.293 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 133' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 0.6 OUTLIER -64.03 -53.01 56.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -53.34 -38.06 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLU . . . . . 0.496 ' O ' HD23 ' B' ' 139' ' ' LEU . 14.4 mt-10 -74.13 -35.9 64.13 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -57.4 -48.49 78.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.864 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' B' ' 133' ' ' GLN . 12.9 mmm180 -65.96 -56.38 12.02 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 122.221 1.01 . . . . 0.0 109.625 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -22.96 12.61 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.339 -1.755 . . . . 0.0 112.138 -177.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LEU . . . . . 0.779 ' CD1' ' HD2' ' A' ' 20' ' ' TYR . 1.9 mt -45.51 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.875 0.369 . . . . 0.0 111.232 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 4.32 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.446 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' B' ' 145' ' ' LYS . . . 59.27 109.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.319 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.95 -170.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -108.94 30.02 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.35 107.88 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 141' ' ' ALA . 1.1 tptp -154.62 -69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.07 119.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 60.38 178.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.89 -171.47 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -58.15 123.3 15.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -100.93 172.28 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 97.78 25.08 10.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.607 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.7 mtm -76.12 122.2 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.43 119.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.47 -34.73 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 4.0 t -124.43 -125.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.5 40.03 0.1 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.905 0.383 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.83 152.35 23.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.88 38.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 19.9 mm -129.86 79.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -31.2 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 161' ' ' MET . . . . . . . . . . . . . 50.4 mtp -146.81 180.0 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.64 -29.08 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 157.99 -36.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -57.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.17 166.27 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.81 85.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.85 29.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.7 140.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -160.23 141.76 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.07 42.54 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -38.54 98.41 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.966 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.721 0.296 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.601 ' HB2' HG23 ' B' ' 108' ' ' THR . 0.0 OUTLIER -131.87 154.75 48.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.621 ' N ' ' HB2' ' B' ' 110' ' ' ASP . 2.1 tt0 -125.07 118.8 26.98 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.529 ' HA ' ' HA ' ' B' ' 108' ' ' THR . 3.6 ttt180 -87.78 100.68 13.03 Favored 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.512 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.803 HG12 HG13 ' B' ' 107' ' ' VAL . 0.7 OUTLIER -94.44 118.63 40.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.7 HG21 ' CZ ' ' B' ' 104' ' ' ARG . 0.2 OUTLIER -131.14 112.42 12.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -176.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.696 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.7 p -99.67 90.59 2.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 114.352 -1.294 . . . . 0.0 108.165 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 103' ' ' GLN . 2.0 p -58.96 88.03 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.14 0.495 . . . . 0.0 109.681 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.934 HG21 ' CB ' ' A' ' 14' ' ' TYR . 65.7 t -80.76 -109.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' N ' HG12 ' A' ' 9' ' ' VAL . 2.2 t70 74.65 -25.43 0.2 Allowed 'General case' 0 C--N 1.346 0.426 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -118.19 -44.97 2.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.762 ' HB2' HG13 ' A' ' 9' ' ' VAL . 3.9 m-20 -64.59 171.16 3.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.998 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.572 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.13 -18.78 65.56 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -176.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.934 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.7 OUTLIER -40.05 -57.17 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.789 0.804 . . . . 0.0 110.145 178.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -50.18 -33.76 20.3 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.83 -178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.771 HD23 ' OH ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -58.44 -46.62 86.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.002 0.429 . . . . 0.0 110.239 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.68 ' HG ' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -63.05 -49.76 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.618 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.81 -25.24 61.91 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.519 -179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 15' ' ' GLN . . . -63.14 -24.13 67.75 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.673 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.779 ' HD2' ' CD1' ' B' ' 139' ' ' LEU . 0.3 OUTLIER -127.9 9.59 6.38 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.924 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 23' ' ' ASN . 1.1 m-20 166.62 65.97 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 18' ' ' LYS . 3.6 p -60.83 69.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.194 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 21' ' ' ASP . 3.1 t-20 -149.89 63.27 0.99 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.46 -1.7 . . . . 0.0 107.03 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.893 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -131.95 -27.56 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.568 0 CA-C-N 114.867 -1.06 . . . . 0.0 112.039 -177.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -42.3 -44.49 3.89 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.95 -35.07 71.67 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 tt -59.42 -43.0 93.13 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.783 HG13 HG22 ' B' ' 128' ' ' VAL . 24.9 t -41.93 -58.2 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.858 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.674 ' O ' ' HB2' ' B' ' 113' ' ' SER . 56.5 p -67.89 -19.62 65.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.312 178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' LEU . 39.3 m -75.09 -46.88 31.64 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -56.87 -25.15 56.1 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.987 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.93 ' HG3' ' HA ' ' B' ' 114' ' ' TYR . 0.0 OUTLIER -80.11 -25.59 39.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.607 179.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -68.3 -44.58 75.15 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -64.76 -43.09 94.42 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.709 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -68.09 -40.1 82.71 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 177.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.937 ' HB1' HD13 ' B' ' 116' ' ' LEU . . . -53.0 -52.67 57.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.643 178.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -53.49 57.55 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.933 0.873 . . . . 0.0 109.357 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -52.1 -54.7 27.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 113.898 -1.501 . . . . 0.0 111.807 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.716 ' HG ' ' CE2' ' B' ' 120' ' ' TYR . 0.0 OUTLIER -49.05 94.76 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.483 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -174.52 75.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.628 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 40' ' ' ARG . . . 69.08 24.24 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.194 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -163.44 153.69 15.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -131.68 -70.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.122 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -137.38 -76.14 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.975 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm 63.48 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.4 t -103.03 112.23 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -167.95 -50.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.99 122.89 18.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -134.07 135.39 43.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 64.31 -79.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.92 -26.98 18.1 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.584 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -103.48 132.09 50.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.04 91.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.36 96.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 55' ' ' VAL . 21.5 t -93.11 -1.46 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.11 0.481 . . . . 0.0 111.705 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.48 95.54 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.225 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -177.35 6.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -149.08 38.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 HG22 ' H ' ' A' ' 61' ' ' MET . 4.6 mt -124.88 -64.93 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 43.98 33.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.575 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.464 ' H ' HG22 ' A' ' 59' ' ' ILE . 6.8 mtt 60.84 100.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -75.97 -29.02 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.51 69.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.0 p -148.49 111.5 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -134.95 147.76 49.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.48 31.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.43 31.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 60.97 73.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.8 161.23 41.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.54 43.8 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -48.13 176.39 0.01 OUTLIER 'General case' 0 N--CA 1.418 -2.049 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.83 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.575 0 CA-C-N 113.371 -1.741 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 17.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -120.56 157.44 29.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.586 ' N ' ' HB2' ' A' ' 10' ' ' ASP . 48.9 tp60 -118.25 119.64 35.28 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ARG . . . . . 0.7 ' CZ ' HG21 ' A' ' 6' ' ' THR . 24.0 ttt-85 -88.64 101.6 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.12 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . 0.606 HD12 ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -94.55 109.96 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -116.7 109.36 17.06 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -177.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.803 HG13 HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -100.82 82.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.246 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -58.32 96.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 1.059 HG21 ' CB ' ' B' ' 114' ' ' TYR . 60.5 t -86.38 -112.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.126 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . 0.687 ' N ' HG12 ' B' ' 109' ' ' VAL . 47.0 t0 77.01 -36.16 0.24 Allowed 'General case' 0 C--N 1.343 0.301 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -176.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . 0.518 ' H ' ' C ' ' B' ' 109' ' ' VAL . 0.4 OUTLIER -106.69 -42.55 4.94 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.198 178.526 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . 0.789 ' HB2' HG13 ' B' ' 109' ' ' VAL . 0.9 OUTLIER -67.69 170.86 7.13 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.187 179.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.674 ' HB2' ' O ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -65.55 -18.6 65.44 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -177.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' TYR . . . . . 1.059 ' CB ' HG21 ' B' ' 109' ' ' VAL . 2.0 t80 -39.87 -54.24 2.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.697 0.76 . . . . 0.0 110.539 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLN . . . . . 0.543 ' HA ' ' CG ' ' B' ' 118' ' ' LYS . 0.0 OUTLIER -50.2 -40.67 47.93 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 114.469 -1.241 . . . . 0.0 112.392 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . 0.937 HD13 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -57.67 -39.39 76.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 0.0 111.109 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.757 HD12 ' CG2' ' B' ' 124' ' ' ILE . 0.3 OUTLIER -73.3 -42.32 62.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.141 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LYS . . . . . 0.68 ' HA ' ' HA ' ' B' ' 122' ' ' VAL . 1.4 pttp -79.84 -25.83 40.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 111.568 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' B' ' 115' ' ' GLN . . . -74.49 -11.95 60.36 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.826 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . 0.716 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -132.73 3.99 3.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.235 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' B' ' 123' ' ' ASN . 0.5 OUTLIER 167.98 62.13 0.0 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.68 ' HA ' ' HA ' ' B' ' 118' ' ' LYS . 3.9 p -58.41 71.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 122.409 1.1 . . . . 0.0 111.353 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' B' ' 121' ' ' ASP . 7.2 t-20 -149.38 65.85 1.01 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 113.077 -1.874 . . . . 0.0 106.281 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ILE . . . . . 0.947 ' H ' HD13 ' B' ' 124' ' ' ILE . 0.2 OUTLIER -131.47 -31.52 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.886 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.742 -177.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' SER . . . . . 0.468 ' C ' ' O ' ' B' ' 124' ' ' ILE . 4.1 p -39.99 -50.27 2.53 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 121.502 0.668 . . . . 0.0 109.21 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.01 -39.62 93.18 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.631 ' HB3' ' O ' ' B' ' 124' ' ' ILE . 6.3 tp -53.85 -44.07 70.04 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.833 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' VAL . . . . . 0.783 HG22 HG13 ' A' ' 28' ' ' VAL . 6.4 t -46.18 -56.59 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.284 0.564 . . . . 0.0 110.079 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' SER . . . . . 0.57 ' HB3' ' H ' ' A' ' 14' ' ' TYR . 0.7 OUTLIER -67.43 -19.96 65.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.904 178.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 99.1 m -83.61 -53.84 5.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 120.987 0.422 . . . . 0.0 110.442 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.04 -36.3 49.86 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.416 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' MET . . . . . 0.554 ' O ' ' N ' ' B' ' 136' ' ' ALA . 0.4 OUTLIER -74.11 -24.94 59.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.293 179.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' B' ' 136' ' ' ALA . 0.6 OUTLIER -64.03 -53.01 56.58 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -53.34 -38.06 62.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . 0.496 ' O ' HD23 ' B' ' 139' ' ' LEU . 14.4 mt-10 -74.13 -35.9 64.13 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' B' ' 132' ' ' MET . . . -57.4 -48.49 78.94 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.864 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' B' ' 133' ' ' GLN . 12.9 mmm180 -65.96 -56.38 12.02 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 122.221 1.01 . . . . 0.0 109.625 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -22.96 12.61 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.339 -1.755 . . . . 0.0 112.138 -177.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LEU . . . . . 0.779 ' CD1' ' HD2' ' A' ' 20' ' ' TYR . 1.9 mt -45.51 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.875 0.369 . . . . 0.0 111.232 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 4.32 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.446 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' B' ' 145' ' ' LYS . . . 59.27 109.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.849 0.356 . . . . 0.0 111.319 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.95 -170.31 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.445 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -108.94 30.02 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -131.35 107.88 9.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' B' ' 141' ' ' ALA . 1.1 tptp -154.62 -69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' VAL . . . . . . . . . . . . . 5.8 m -151.07 119.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 60.38 178.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -118.89 -171.47 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -58.15 123.3 15.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -100.93 172.28 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLY . . . . . . . . . . . . . . . 97.78 25.08 10.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.607 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' MET . . . . . . . . . . . . . 8.7 mtm -76.12 122.2 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . . . . . . . . . 8.1 m -137.43 119.93 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.47 -34.73 65.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 4.0 t -124.43 -125.18 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.279 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ALA . . . . . . . . . . . . . . . -163.5 40.03 0.1 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.905 0.383 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.83 152.35 23.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.88 38.72 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ILE . . . . . . . . . . . . . 19.9 mm -129.86 79.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.96 -31.2 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' MET . . . . . . . . . . . . . 50.4 mtp -146.81 180.0 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.64 -29.08 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' GLY . . . . . . . . . . . . . . . 157.99 -36.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.85 -57.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -175.17 166.27 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ALA . . . . . . . . . . . . . . . -88.81 85.4 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.85 29.08 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -178.7 140.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -160.23 141.76 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.07 42.54 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -38.54 98.41 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.966 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 stop_ save_