data_1l8z_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 1l8z _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.601 ' HA2' ' HB3' ' A' ' 70' ' ' MET . . . . . . . . 0 N--CA 1.405 -3.371 0 CA-C-O 127.548 3.86 . . . . 5.7699999999999996 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.032 ' HB2' ' HA ' ' A' ' 67' ' ' LEU 0.503 32.6 mttm -100.03 -151.25 0.39 Allowed 'General case' 2 C--N 1.174 -7.063 2 CA-C-N 104.128 -6.036 . . . . 7.6799999999999997 123.922 -173.552 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.765 ' N ' ' HD2' ' A' ' 4' ' ' PRO 1.132 0.1 OUTLIER -137.47 7.99 0.04 OUTLIER Pre-proline 0 N--CA 1.403 -2.783 2 CA-C-N 105.072 -5.513 . . . . 6.0499999999999998 121.642 -171.647 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 1.029 ' HD3' ' HD3' ' A' ' 2' ' ' LYS . 2.1 Cg_endo -44.8 -75.13 0.04 OUTLIER 'Trans proline' 1 CA--C 1.347 -8.839 0 C-N-CA 124.203 3.269 . . . . 2.7000000000000002 104.124 -158.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.698 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.1 tt0 -131.93 -110.94 0.24 Allowed 'General case' 2 N--CA 1.268 -9.543 1 CA-C-N 107.568 -4.378 . . . . 5.21 117.997 175.608 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.81 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m 128.08 72.35 0.0 OUTLIER Pre-proline 0 N--CA 1.403 -2.823 0 O-C-N 126.523 2.389 . . . . 3.5600000000000001 111.352 -172.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.969 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 93.6 Cg_exo -53.64 -160.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.41 -3.391 0 N-CA-C 104.906 -2.767 . . . . 1.53 104.906 172.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.741 ' HB2' ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -155.28 27.75 0.4 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.923 -1.111 . . . . 3.1800000000000002 110.278 179.665 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.88 ' HD2' ' HB3' ' A' ' 57' ' ' ALA . 0.0 OUTLIER 49.9 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.45 -0.796 . . . . 2.9900000000000002 112.668 -178.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.872 ' HB1' ' HZ3' ' A' ' 41' ' ' TRP . . . -70.7 -80.23 0.06 Allowed 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 114.15 1.167 . . . . 1.27 114.15 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 1.5 mt-10 -50.82 -22.62 2.25 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 113.766 1.025 . . . . 1.8400000000000001 113.766 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.77 ' HG3' ' CA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -78.31 -68.61 0.62 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.783 0.325 . . . . 1.79 111.448 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.793 ' CG1' ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.48 -53.39 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 CA-C-N 116.015 -0.539 . . . . 1.1399999999999999 111.433 -178.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.823 ' CZ3' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.14 -55.72 6.09 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.469 1.285 . . . . 0.46999999999999997 114.469 -176.551 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.713 ' O ' HG22 ' A' ' 19' ' ' ILE . 5.6 tt0 -46.26 -69.84 0.12 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 119.474 -0.89 . . . . 1.74 109.223 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -43.98 -35.48 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.561 0.538 . . . . 2.1299999999999999 111.371 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.684 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.92 -44.23 77.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 1.1499999999999999 112.16 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.882 ' HB ' ' CE2' ' A' ' 22' ' ' TYR . 2.3 m -99.88 -50.56 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 113.089 0.774 . . . . 1.1799999999999999 113.089 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 15' ' ' GLN . 14.5 tt -35.66 -36.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.361 0.504 . . . . 1.1799999999999999 112.361 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 19' ' ' ILE . . . -62.74 -42.32 99.71 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.711 -0.757 . . . . 0.51000000000000001 112.507 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.07 -25.53 34.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.887 0.375 . . . . 1.29 110.534 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.905 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 37.6 m-85 -79.02 -38.9 35.44 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.837 -0.62 . . . . 1.9399999999999999 110.866 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 HG12 ' A' ' 19' ' ' ILE . 4.1 mt -75.94 -27.62 57.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.271 0.558 . . . . 1.47 109.807 178.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.18 -43.56 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.892 -1.049 . . . . 1.1599999999999999 112.593 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 5.8 ptm180 -49.09 -43.09 40.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.594 0.961 . . . . 2.6699999999999999 113.594 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.973 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -114.95 0.21 13.62 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.178 0.989 . . . . 2.8900000000000001 110.881 -177.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.699 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.94 60.4 1.55 Allowed 'General case' 0 N--CA 1.403 -2.797 0 C-N-CA 117.665 -1.614 . . . . 3.48 110.169 177.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 31.7 t-20 107.58 35.43 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.275 -0.875 . . . . 2.4199999999999999 111.135 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.973 ' HB2' ' HB3' ' A' ' 26' ' ' PHE . 11.8 t0 -85.3 4.43 35.02 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-N 115.069 -0.968 . . . . 2.4199999999999999 112.707 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HA ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -18.92 -49.46 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.691 1.244 . . . . 2.75 112.997 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.7 t -42.08 -47.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.42 0.628 . . . . 1.6799999999999999 110.007 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' ASP . 8.1 mmtt -77.99 -37.14 47.92 Favored 'General case' 0 CA--C 1.486 -1.494 0 CA-C-N 114.664 -1.153 . . . . 3.3500000000000001 112.819 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB3' ' HB3' ' A' ' 22' ' ' TYR . . . -59.5 -52.28 66.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.41 -1.268 . . . . 1.29 110.226 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.86 -39.48 68.68 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.712 -1.131 . . . . 2.0600000000000001 111.824 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 6.2 mmtt -76.49 -53.1 8.58 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 123.312 0.383 . . . . 2.6800000000000002 111.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.905 ' HB1' ' CE1' ' A' ' 22' ' ' TYR . . . -49.58 -29.94 7.88 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.104 -0.953 . . . . 1.1899999999999999 110.094 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.508 ' HG3' ' HE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -88.31 -45.98 9.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.626 -0.715 . . . . 1.1299999999999999 110.789 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.08 -59.83 4.49 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 116.012 -0.54 . . . . 1.99 111.16 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.559 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 11.2 mtt -51.34 -65.07 0.62 Allowed 'General case' 0 N--CA 1.415 -2.209 0 C-N-CA 119.412 -0.915 . . . . 2.7400000000000002 109.616 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' HA ' ' ND2' ' A' ' 43' ' ' ASN . 99.6 m -44.94 -21.12 0.05 OUTLIER 'General case' 0 C--N 1.339 0.121 0 O-C-N 124.853 1.345 . . . . 1.4199999999999999 113.263 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.872 ' HZ3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.95 -42.19 14.25 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.912 0.387 . . . . 1.3300000000000001 110.628 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.721 ' N ' ' HD1' ' A' ' 41' ' ' TRP . 11.8 m-80 -77.52 -35.11 53.72 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-N 115.439 -0.8 . . . . 1.9299999999999999 111.868 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' A' ' 39' ' ' MET 0.33 0.0 OUTLIER -66.24 -16.32 63.92 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 117.756 -1.578 . . . . 2.9900000000000002 110.181 -178.642 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.749 ' CG ' ' HG2' ' A' ' 48' ' ' GLU . 3.4 tpt -87.54 -33.89 18.78 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 115.436 1.643 . . . . 2.2400000000000002 115.436 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.729 ' HB2' ' O ' ' A' ' 44' ' ' MET . 25.9 mt-10 88.91 -166.13 0.01 OUTLIER 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 125.896 1.997 . . . . 2.5800000000000001 111.863 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.538 ' HG2' ' HB2' ' A' ' 50' ' ' LEU . 30.4 tttt -46.66 -23.65 0.44 Allowed 'General case' 0 N--CA 1.39 -3.443 0 CA-C-N 114.12 -1.4 . . . . 3.2200000000000002 113.079 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.886 ' O ' ' HG3' ' A' ' 51' ' ' MET . 0.1 OUTLIER -55.4 -61.67 2.19 Favored 'General case' 0 C--O 1.18 -2.574 0 C-N-CA 119.488 -0.885 . . . . 3.48 113.074 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.749 ' HG2' ' CG ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -73.17 -68.03 0.53 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 122.439 1.114 . . . . 2.0 108.172 -178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.72 ' HD3' ' NE1' ' A' ' 41' ' ' TRP . 8.9 mtmt -33.6 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.305 -1.771 . . . . 2.29 113.715 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' HB2' ' HG2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -49.25 -48.89 45.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.813 0.696 . . . . 1.3500000000000001 112.09 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.886 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 2.0 mtp -64.14 -34.93 79.19 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.849 1.055 . . . . 2.6200000000000001 113.849 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.743 ' CE3' ' HE3' ' A' ' 41' ' ' TRP . 36.6 m0 -61.67 -37.6 84.66 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.278 -1.008 . . . . 0.56999999999999995 108.278 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' A' ' 9' ' ' ARG . 49.7 mt -53.08 -61.89 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 CA-C-N 113.973 -1.467 . . . . 1.6599999999999999 109.359 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.76 ' HA ' ' HB2' ' A' ' 57' ' ' ALA . 2.6 ttmt -54.76 -28.43 48.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 114.907 1.447 . . . . 2.5699999999999998 114.907 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.793 ' HG2' ' CG1' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -60.76 -54.25 47.48 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.513 -0.875 . . . . 2.98 110.37 179.194 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 9' ' ' ARG . . . -85.1 -16.7 39.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.106 -0.952 . . . . 1.1799999999999999 110.606 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.88 ' HB3' ' HD2' ' A' ' 9' ' ' ARG . . . -77.66 -33.76 53.33 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 106.414 -1.698 . . . . 1.24 106.414 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 1.2 tt0 -72.73 -29.93 63.75 Favored 'General case' 0 N--CA 1.414 -2.25 0 CA-C-N 113.552 -1.658 . . . . 2.4399999999999999 108.023 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -82.86 -30.02 28.93 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.835 -1.075 . . . . 1.4099999999999999 111.65 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.969 ' HA ' ' HG2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -57.68 -20.73 35.85 Favored 'General case' 0 CA--C 1.48 -1.747 0 C-N-CA 125.639 1.576 . . . . 1.9299999999999999 113.683 -178.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 1.379 ' HD3' ' CD ' ' A' ' 61' ' ' LYS 0.43 14.5 mttt -60.41 -41.86 94.8 Favored 'General case' 1 C--N 1.225 -4.839 0 N-CA-C 117.604 2.446 . . . . 4.2000000000000002 117.604 177.299 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.26 0.0 OUTLIER -61.03 -39.04 88.25 Favored 'General case' 1 CA--C 1.398 -4.882 0 CA-C-O 125.708 2.67 . . . . 4.0300000000000002 113.163 -174.584 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.81 ' CE2' ' HA ' ' A' ' 6' ' ' SER 0.298 0.0 OUTLIER -84.16 -34.75 23.95 Favored 'General case' 2 N--CA 1.277 -9.075 1 CA-C-N 106.07 -5.059 . . . . 6.3499999999999996 110.99 -172.444 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.83 ' HA ' ' CD1' ' A' ' 67' ' ' LEU 0.254 2.1 tt0 -58.32 -35.74 72.33 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-O 127.258 3.409 . . . . 2.5499999999999998 111.695 176.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 69' ' ' GLU 0.331 0.2 OUTLIER -73.85 -31.23 63.09 Favored 'General case' 2 N--CA 1.351 -5.419 1 CA-C-N 107.472 -4.422 . . . . 5.7800000000000002 112.723 -175.772 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.994 ' CB ' ' HG3' ' A' ' 4' ' ' PRO . 1.4 mm-40 -59.29 -47.87 83.74 Favored 'General case' 0 N--CA 1.383 -3.781 0 N-CA-C 104.167 -2.531 . . . . 2.5 104.167 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 1.478 ' CD2' HD21 ' A' ' 67' ' ' LEU 0.274 0.0 OUTLIER -67.32 -79.59 0.05 OUTLIER 'General case' 2 N--CA 1.357 -5.084 0 CA-C-N 111.848 -2.433 . . . . 2.6499999999999999 111.871 -177.852 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.877 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 27.3 t -28.39 -56.71 0.12 Allowed 'General case' 1 N--CA 1.364 -4.768 0 O-C-N 126.652 2.47 . . . . 2.4700000000000002 108.778 -176.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' A' ' 66' ' ' GLU 0.332 0.5 OUTLIER -23.53 -47.46 0.01 OUTLIER 'General case' 0 CA--C 1.434 -3.501 0 CA-C-O 125.085 2.374 . . . . 3.4700000000000002 115.469 177.716 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.601 ' HB3' ' HA2' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -60.71 -45.09 95.56 Favored 'General case' 2 N--CA 1.343 -5.791 1 CA-C-N 107.806 -4.27 . . . . 4.7699999999999996 111.544 -174.121 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.965 ' CA ' ' HD3' ' A' ' 73' ' ' PRO 0.397 0.0 OUTLIER -103.9 17.37 24.25 Favored 'General case' 3 CA--C 1.303 -8.521 1 CA-C-N 107.913 -4.221 . . . . 7.3499999999999996 115.472 175.889 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 1.073 ' HB2' ' C ' ' A' ' 75' ' ' ALA 0.618 . . -134.04 51.21 6.1 Favored Pre-proline 3 N--CA 1.129 -16.488 1 N-CA-C 97.946 -4.835 . . . . 4.1699999999999999 97.946 -178.123 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.965 ' HD3' ' CA ' ' A' ' 71' ' ' ARG . 80.5 Cg_exo -60.08 -46.63 18.1 Favored 'Trans proline' 2 C--N 1.458 6.298 2 N-CA-C 96.042 -6.176 . . . . 6.0499999999999998 96.042 171.806 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 1.452 ' C ' ' CA ' ' A' ' 74' ' ' PRO 0.655 0.0 OUTLIER -90.86 -62.0 0.01 OUTLIER 'Trans proline' 2 C--O 2.246 50.887 1 CA-C-O 138.79 7.746 . . . . 6.9199999999999999 105.624 171.028 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.541 ' N ' ' CA ' ' A' ' 75' ' ' ALA . . . -28.64 1.97 0.0 OUTLIER 'General case' 3 C--N 1.704 16.016 2 CA-C-N 99.743 -7.935 . . . . 6.6600000000000001 100.981 169.936 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 1.441 ' C ' ' CA ' ' A' ' 76' ' ' ALA 0.396 . . -126.5 -163.18 1.21 Allowed 'General case' 2 N--CA 2.267 40.407 2 C-N-CA 159.116 14.967 . . . . 9.5199999999999996 112.499 156.93 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 1.134 HG23 ' CD2' ' A' ' 83' ' ' LEU 0.703 0.8 OUTLIER -73.67 99.76 3.19 Favored 'General case' 2 N--CA 1.647 9.393 4 O-C-N 103.009 -12.307 . . . . 11.539999999999999 137.82 166.379 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 1.455 ' C ' ' CA ' ' A' ' 78' ' ' ASN 0.793 2.9 t-20 164.46 56.63 0.0 OUTLIER 'General case' 1 CA--C 1.825 11.521 1 CA-C-N 102.375 -6.739 . . . . 10.57 111.749 149.23 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 1.401 ' OG ' ' CB ' ' A' ' 79' ' ' SER 1.191 12.9 t -120.95 -105.15 0.38 Allowed 'General case' 3 N--CA 2.125 33.313 1 N-CA-C 123.255 4.539 . . . . 9.9499999999999993 123.255 -161.06 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 1.454 ' C ' ' HA ' ' A' ' 80' ' ' SER 2.391 5.0 p 175.18 95.29 0.01 OUTLIER 'General case' 4 C--O 1.613 20.231 5 CA-C-N 23.013 -42.812 . . . . 12.41 70.709 -129.618 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 1.408 ' C ' ' N ' ' A' ' 82' ' ' LYS 0.417 0.0 OUTLIER -173.75 -21.74 0.01 OUTLIER 'General case' 3 CA--C 1.949 16.325 3 O-C-N 154.24 19.712 . . . . 14.529999999999999 107.616 -169.943 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 1.553 ' CG ' ' CB ' ' A' ' 82' ' ' LYS 2.43 0.0 OUTLIER 100.8 -98.06 0.0 OUTLIER 'General case' 3 C--N 1.733 17.256 4 C-N-CA 96.346 -10.142 . . . . 16.899999999999999 120.296 -139.563 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 1.515 ' CB ' ' CA ' ' A' ' 83' ' ' LEU 1.686 0.0 OUTLIER 41.0 53.13 3.35 Favored 'General case' 4 C--N 1.994 28.615 3 O-C-N 156.08 20.862 . . . . 17.48 102.39 112.401 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 1.472 ' CB ' ' CA ' ' A' ' 84' ' ' GLU 1.025 21.9 mt-10 . . . . . 1 N--CA 1.123 -16.801 3 CA-C-N 72.765 -20.198 . . . . 18.969999999999999 119.953 161.633 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 70' ' ' MET . . . . . . . . 0 N--CA 1.405 -3.371 0 CA-C-O 127.548 3.86 . . . . 5.77 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 1.076 ' HD3' ' CD ' ' A' ' 4' ' ' PRO 0.503 32.6 mttm -100.03 -151.25 0.39 Allowed 'General case' 2 C--N 1.174 -7.063 2 CA-C-N 104.128 -6.036 . . . . 7.24 123.922 -173.552 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.722 ' N ' ' HD2' ' A' ' 4' ' ' PRO 1.132 0.1 OUTLIER -137.47 7.99 0.04 OUTLIER Pre-proline 0 N--CA 1.403 -2.783 2 CA-C-N 105.072 -5.513 . . . . 5.7 121.642 -171.647 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 1.076 ' CD ' ' HD3' ' A' ' 2' ' ' LYS . 2.1 Cg_endo -44.8 -75.13 0.04 OUTLIER 'Trans proline' 1 CA--C 1.347 -8.839 0 C-N-CA 124.203 3.269 . . . . 2.43 104.124 -158.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.698 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.1 tt0 -131.93 -110.94 0.24 Allowed 'General case' 2 N--CA 1.268 -9.543 1 CA-C-N 107.568 -4.378 . . . . 5.21 117.997 175.608 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.891 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m 128.08 72.35 0.0 OUTLIER Pre-proline 0 N--CA 1.403 -2.823 0 O-C-N 126.523 2.389 . . . . 3.15 111.352 -172.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.95 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 93.6 Cg_exo -53.64 -160.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.41 -3.391 0 N-CA-C 104.906 -2.767 . . . . 1.11 104.906 172.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.769 ' HB2' ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -155.28 27.75 0.4 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.923 -1.111 . . . . 2.78 110.278 179.665 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.872 ' CA ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER 49.9 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.45 -0.796 . . . . 2.26 112.668 -178.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.991 ' HB1' ' HZ3' ' A' ' 41' ' ' TRP . . . -70.7 -80.23 0.06 Allowed 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 114.15 1.167 . . . . 0.67 114.15 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 1.5 mt-10 -50.82 -22.62 2.25 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 113.766 1.025 . . . . 1.84 113.766 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.801 ' HG3' ' CA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -78.31 -68.61 0.62 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.783 0.325 . . . . 1.79 111.448 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.855 HG12 ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.48 -53.39 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 CA-C-N 116.015 -0.539 . . . . 0.4 111.433 -178.37 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.714 ' CZ3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.14 -55.72 6.09 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.469 1.285 . . . . 0.37 114.469 -176.551 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.707 ' O ' HG22 ' A' ' 19' ' ' ILE . 5.6 tt0 -46.26 -69.84 0.12 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 119.474 -0.89 . . . . 1.74 109.223 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -43.98 -35.48 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.561 0.538 . . . . 1.88 111.371 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.679 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.92 -44.23 77.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.93 112.16 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.913 ' HB ' ' CE2' ' A' ' 22' ' ' TYR . 2.3 m -99.88 -50.56 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 113.089 0.774 . . . . 0.54 113.089 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.736 HG12 HD12 ' A' ' 23' ' ' LEU . 14.5 tt -35.66 -36.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.361 0.504 . . . . 0.5 112.361 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -62.74 -42.32 99.71 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.711 -0.757 . . . . 0.44 112.507 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.07 -25.53 34.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.887 0.375 . . . . 1.29 110.534 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.913 ' CE2' ' HB ' ' A' ' 18' ' ' VAL . 37.6 m-85 -79.02 -38.9 35.44 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.837 -0.62 . . . . 1.27 110.866 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 19' ' ' ILE . 4.1 mt -75.94 -27.62 57.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.271 0.558 . . . . 0.87 109.807 178.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 20' ' ' GLY . . . -69.18 -43.56 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.892 -1.049 . . . . 0.75 112.593 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 5.8 ptm180 -49.09 -43.09 40.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.594 0.961 . . . . 1.98 113.594 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.061 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -114.95 0.21 13.62 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.178 0.989 . . . . 2.12 110.881 -177.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.94 60.4 1.55 Allowed 'General case' 0 N--CA 1.403 -2.797 0 C-N-CA 117.665 -1.614 . . . . 3.09 110.169 177.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 31.7 t-20 107.58 35.43 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.275 -0.875 . . . . 2.02 111.135 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.061 ' HB2' ' HB3' ' A' ' 26' ' ' PHE . 11.8 t0 -85.3 4.43 35.02 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-N 115.069 -0.968 . . . . 2.42 112.707 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -18.92 -49.46 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.691 1.244 . . . . 2.2 112.997 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.7 t -42.08 -47.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.42 0.628 . . . . 1.12 110.007 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' ASP . 8.1 mmtt -77.99 -37.14 47.92 Favored 'General case' 0 CA--C 1.486 -1.494 0 CA-C-N 114.664 -1.153 . . . . 2.92 112.819 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . . . -59.5 -52.28 66.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.41 -1.268 . . . . 0.62 110.226 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.86 -39.48 68.68 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.712 -1.131 . . . . 1.52 111.824 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 6.2 mmtt -76.49 -53.1 8.58 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 123.312 0.383 . . . . 2.21 111.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.667 ' CB ' ' CE1' ' A' ' 22' ' ' TYR . . . -49.58 -29.94 7.88 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.104 -0.953 . . . . 0.78 110.094 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.537 ' HG3' ' HE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -88.31 -45.98 9.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.626 -0.715 . . . . 0.77 110.789 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.08 -59.83 4.49 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 116.012 -0.54 . . . . 1.99 111.16 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.448 ' O ' ' OD1' ' A' ' 43' ' ' ASN . 11.2 mtt -51.34 -65.07 0.62 Allowed 'General case' 0 N--CA 1.415 -2.209 0 C-N-CA 119.412 -0.915 . . . . 2.16 109.616 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -44.94 -21.12 0.05 OUTLIER 'General case' 0 C--N 1.339 0.121 0 O-C-N 124.853 1.345 . . . . 0.85 113.263 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.991 ' HZ3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.95 -42.19 14.25 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.912 0.387 . . . . 1.09 110.628 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.706 ' N ' ' HD1' ' A' ' 41' ' ' TRP . 11.8 m-80 -77.52 -35.11 53.72 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-N 115.439 -0.8 . . . . 1.93 111.868 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.448 ' OD1' ' O ' ' A' ' 39' ' ' MET 0.33 0.0 OUTLIER -66.24 -16.32 63.92 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 117.756 -1.578 . . . . 2.13 110.181 -178.642 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.774 ' CG ' ' HG2' ' A' ' 48' ' ' GLU . 3.4 tpt -87.54 -33.89 18.78 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 115.436 1.643 . . . . 1.67 115.436 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.746 ' HB2' ' O ' ' A' ' 44' ' ' MET . 25.9 mt-10 88.91 -166.13 0.01 OUTLIER 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 125.896 1.997 . . . . 2.58 111.863 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' LEU . 30.4 tttt -46.66 -23.65 0.44 Allowed 'General case' 0 N--CA 1.39 -3.443 0 CA-C-N 114.12 -1.4 . . . . 2.77 113.079 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.933 ' O ' ' HG3' ' A' ' 51' ' ' MET . 0.1 OUTLIER -55.4 -61.67 2.19 Favored 'General case' 0 C--O 1.18 -2.574 0 C-N-CA 119.488 -0.885 . . . . 3.04 113.074 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HG2' ' CG ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -73.17 -68.03 0.53 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 122.439 1.114 . . . . 2.0 108.172 -178.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HD3' ' NE1' ' A' ' 41' ' ' TRP . 8.9 mtmt -33.6 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.305 -1.771 . . . . 1.84 113.715 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.594 ' HB2' ' HG2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -49.25 -48.89 45.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.813 0.696 . . . . 0.74 112.09 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.933 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 2.0 mtp -64.14 -34.93 79.19 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.849 1.055 . . . . 2.13 113.849 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.76 ' CE3' ' HE3' ' A' ' 41' ' ' TRP . 36.6 m0 -61.67 -37.6 84.66 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.278 -1.008 . . . . 0.53 108.278 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.54 HG23 ' CB ' ' A' ' 9' ' ' ARG . 49.7 mt -53.08 -61.89 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 CA-C-N 113.973 -1.467 . . . . 1.16 109.359 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.812 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 2.6 ttmt -54.76 -28.43 48.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 114.907 1.447 . . . . 2.13 114.907 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.855 ' HG2' HG12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -60.76 -54.25 47.48 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.513 -0.875 . . . . 2.5 110.37 179.194 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.872 ' HB3' ' CA ' ' A' ' 9' ' ' ARG . . . -85.1 -16.7 39.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.106 -0.952 . . . . 0.5 110.606 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 54' ' ' LYS . . . -77.66 -33.76 53.33 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 106.414 -1.698 . . . . 0.64 106.414 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 1.2 tt0 -72.73 -29.93 63.75 Favored 'General case' 0 N--CA 1.414 -2.25 0 CA-C-N 113.552 -1.658 . . . . 2.44 108.023 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.662 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -82.86 -30.02 28.93 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.835 -1.075 . . . . 1.41 111.65 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.95 ' HA ' ' HG2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -57.68 -20.73 35.85 Favored 'General case' 0 CA--C 1.48 -1.747 0 C-N-CA 125.639 1.576 . . . . 1.93 113.683 -178.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 65' ' ' ARG 0.43 14.5 mttt -60.41 -41.86 94.8 Favored 'General case' 1 C--N 1.225 -4.839 0 N-CA-C 117.604 2.446 . . . . 3.79 117.604 177.299 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 62' ' ' ARG 0.26 0.0 OUTLIER -61.03 -39.04 88.25 Favored 'General case' 1 CA--C 1.398 -4.882 0 CA-C-O 125.708 2.67 . . . . 3.53 113.163 -174.584 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.891 ' CE2' ' HA ' ' A' ' 6' ' ' SER 0.298 0.0 OUTLIER -84.16 -34.75 23.95 Favored 'General case' 2 N--CA 1.277 -9.075 1 CA-C-N 106.07 -5.059 . . . . 5.95 110.99 -172.444 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' ' CD1' ' A' ' 67' ' ' LEU 0.254 2.1 tt0 -58.32 -35.74 72.33 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-O 127.258 3.409 . . . . 2.55 111.695 176.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 61' ' ' LYS 0.331 0.2 OUTLIER -73.85 -31.23 63.09 Favored 'General case' 2 N--CA 1.351 -5.419 1 CA-C-N 107.472 -4.422 . . . . 5.16 112.723 -175.772 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 1.029 ' CB ' ' HG3' ' A' ' 4' ' ' PRO . 1.4 mm-40 -59.29 -47.87 83.74 Favored 'General case' 0 N--CA 1.383 -3.781 0 N-CA-C 104.167 -2.531 . . . . 2.5 104.167 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.039 ' CA ' ' HB2' ' A' ' 2' ' ' LYS 0.274 0.0 OUTLIER -67.32 -79.59 0.05 OUTLIER 'General case' 2 N--CA 1.357 -5.084 0 CA-C-N 111.848 -2.433 . . . . 2.13 111.871 -177.852 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 1.022 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 27.3 t -28.39 -56.71 0.12 Allowed 'General case' 1 N--CA 1.364 -4.768 0 O-C-N 126.652 2.47 . . . . 2.09 108.778 -176.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.633 ' N ' ' HB3' ' A' ' 72' ' ' ALA 0.332 0.5 OUTLIER -23.53 -47.46 0.01 OUTLIER 'General case' 0 CA--C 1.434 -3.501 0 CA-C-O 125.085 2.374 . . . . 3.47 115.469 177.716 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.684 ' HB3' ' HA2' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -60.71 -45.09 95.56 Favored 'General case' 2 N--CA 1.343 -5.791 1 CA-C-N 107.806 -4.27 . . . . 4.42 111.544 -174.121 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 1.02 ' CA ' ' HD3' ' A' ' 73' ' ' PRO 0.397 0.0 OUTLIER -103.9 17.37 24.25 Favored 'General case' 3 CA--C 1.303 -8.521 1 CA-C-N 107.913 -4.221 . . . . 6.69 115.472 175.889 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 1.343 ' HB1' ' C ' ' A' ' 75' ' ' ALA 0.618 . . -134.04 51.21 6.1 Favored Pre-proline 3 N--CA 1.129 -16.488 1 N-CA-C 97.946 -4.835 . . . . 4.17 97.946 -178.123 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 1.085 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 80.5 Cg_exo -60.08 -46.63 18.1 Favored 'Trans proline' 2 C--N 1.458 6.298 2 N-CA-C 96.042 -6.176 . . . . 6.05 96.042 171.806 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 1.452 ' CA ' ' C ' ' A' ' 74' ' ' PRO 0.655 0.0 OUTLIER -90.86 -62.0 0.01 OUTLIER 'Trans proline' 2 C--O 2.246 50.887 1 CA-C-O 138.79 7.746 . . . . 6.38 105.624 171.028 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.541 ' N ' ' CA ' ' A' ' 75' ' ' ALA . . . -28.64 1.97 0.0 OUTLIER 'General case' 3 C--N 1.704 16.016 2 CA-C-N 99.743 -7.935 . . . . 6.66 100.981 169.936 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.441 ' C ' ' CA ' ' A' ' 76' ' ' ALA 0.396 . . -126.5 -163.18 1.21 Allowed 'General case' 2 N--CA 2.267 40.407 2 C-N-CA 159.116 14.967 . . . . 9.52 112.499 156.93 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 1.128 HG21 ' CD2' ' A' ' 83' ' ' LEU 0.703 0.8 OUTLIER -73.67 99.76 3.19 Favored 'General case' 2 N--CA 1.647 9.393 4 O-C-N 103.009 -12.307 . . . . 11.27 137.82 166.379 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 1.455 ' CA ' ' C ' ' A' ' 78' ' ' ASN 0.793 2.9 t-20 164.46 56.63 0.0 OUTLIER 'General case' 1 CA--C 1.825 11.521 1 CA-C-N 102.375 -6.739 . . . . 10.13 111.749 149.23 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 1.401 ' CB ' ' OG ' ' A' ' 79' ' ' SER 1.191 12.9 t -120.95 -105.15 0.38 Allowed 'General case' 3 N--CA 2.125 33.313 1 N-CA-C 123.255 4.539 . . . . 9.95 123.255 -161.06 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 1.411 ' HA ' ' CA ' ' A' ' 75' ' ' ALA 2.391 5.0 p 175.18 95.29 0.01 OUTLIER 'General case' 4 C--O 1.613 20.231 5 CA-C-N 23.013 -42.812 . . . . 12.41 70.709 -129.618 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 1.408 ' C ' ' N ' ' A' ' 82' ' ' LYS 0.417 0.0 OUTLIER -173.75 -21.74 0.01 OUTLIER 'General case' 3 CA--C 1.949 16.325 3 O-C-N 154.24 19.712 . . . . 14.27 107.616 -169.943 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 1.553 ' CB ' ' CG ' ' A' ' 82' ' ' LYS 2.43 0.0 OUTLIER 100.8 -98.06 0.0 OUTLIER 'General case' 3 C--N 1.733 17.256 4 C-N-CA 96.346 -10.142 . . . . 16.64 120.296 -139.563 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.569 ' HA ' ' CB ' ' A' ' 83' ' ' LEU 1.686 0.0 OUTLIER 41.0 53.13 3.35 Favored 'General case' 4 C--N 1.994 28.615 3 O-C-N 156.08 20.862 . . . . 17.2 102.39 112.401 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 1.472 ' CB ' ' CA ' ' A' ' 84' ' ' GLU 1.025 21.9 mt-10 . . . . . 1 N--CA 1.123 -16.801 3 CA-C-N 72.765 -20.198 . . . . 18.97 119.953 161.633 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.684 ' HA2' ' HB3' ' A' ' 70' ' ' MET . . . . . . . . 0 N--CA 1.405 -3.371 0 CA-C-O 127.548 3.86 . . . . 5.77 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.076 ' HD3' ' CD ' ' A' ' 4' ' ' PRO 0.503 32.6 mttm -100.03 -151.25 0.39 Allowed 'General case' 2 C--N 1.174 -7.063 2 CA-C-N 104.128 -6.036 . . . . 7.24 123.922 -173.552 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.722 ' N ' ' HD2' ' A' ' 4' ' ' PRO 1.132 0.1 OUTLIER -137.47 7.99 0.04 OUTLIER Pre-proline 0 N--CA 1.403 -2.783 2 CA-C-N 105.072 -5.513 . . . . 5.7 121.642 -171.647 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 1.076 ' CD ' ' HD3' ' A' ' 2' ' ' LYS . 2.1 Cg_endo -44.8 -75.13 0.04 OUTLIER 'Trans proline' 1 CA--C 1.347 -8.839 0 C-N-CA 124.203 3.269 . . . . 2.43 104.124 -158.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.698 ' O ' ' CB ' ' A' ' 6' ' ' SER . 4.1 tt0 -131.93 -110.94 0.24 Allowed 'General case' 2 N--CA 1.268 -9.543 1 CA-C-N 107.568 -4.378 . . . . 5.21 117.997 175.608 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.891 ' HA ' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m 128.08 72.35 0.0 OUTLIER Pre-proline 0 N--CA 1.403 -2.823 0 O-C-N 126.523 2.389 . . . . 3.15 111.352 -172.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.95 ' HG2' ' HA ' ' A' ' 60' ' ' GLN . 93.6 Cg_exo -53.64 -160.07 0.0 OUTLIER 'Trans proline' 0 N--CA 1.41 -3.391 0 N-CA-C 104.906 -2.767 . . . . 1.11 104.906 172.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.769 ' HB2' ' HG2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -155.28 27.75 0.4 Allowed 'General case' 0 C--N 1.293 -1.879 0 O-C-N 120.923 -1.111 . . . . 2.78 110.278 179.665 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.872 ' CA ' ' HB3' ' A' ' 56' ' ' ALA . 0.0 OUTLIER 49.9 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 115.45 -0.796 . . . . 2.26 112.668 -178.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.991 ' HB1' ' HZ3' ' A' ' 41' ' ' TRP . . . -70.7 -80.23 0.06 Allowed 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 114.15 1.167 . . . . 0.67 114.15 -176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 15' ' ' GLN . 1.5 mt-10 -50.82 -22.62 2.25 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 113.766 1.025 . . . . 1.84 113.766 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.801 ' HG3' ' CA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -78.31 -68.61 0.62 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.783 0.325 . . . . 1.79 111.448 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.855 HG12 ' HG2' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -49.48 -53.39 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.975 0 CA-C-N 116.015 -0.539 . . . . 0.4 111.433 -178.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.714 ' CZ3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.14 -55.72 6.09 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 114.469 1.285 . . . . 0.37 114.469 -176.551 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.707 ' O ' HG22 ' A' ' 19' ' ' ILE . 5.6 tt0 -46.26 -69.84 0.12 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 119.474 -0.89 . . . . 1.74 109.223 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -43.98 -35.48 2.08 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.561 0.538 . . . . 1.88 111.371 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.679 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.92 -44.23 77.36 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.93 112.16 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.913 ' HB ' ' CE2' ' A' ' 22' ' ' TYR . 2.3 m -99.88 -50.56 10.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 113.089 0.774 . . . . 0.54 113.089 -178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.736 HG12 HD12 ' A' ' 23' ' ' LEU . 14.5 tt -35.66 -36.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 112.361 0.504 . . . . 0.5 112.361 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -62.74 -42.32 99.71 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.711 -0.757 . . . . 0.44 112.507 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.07 -25.53 34.46 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.887 0.375 . . . . 1.29 110.534 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.913 ' CE2' ' HB ' ' A' ' 18' ' ' VAL . 37.6 m-85 -79.02 -38.9 35.44 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.837 -0.62 . . . . 1.27 110.866 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 HG12 ' A' ' 19' ' ' ILE . 4.1 mt -75.94 -27.62 57.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.271 0.558 . . . . 0.87 109.807 178.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 20' ' ' GLY . . . -69.18 -43.56 73.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.892 -1.049 . . . . 0.75 112.593 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 22' ' ' TYR . 5.8 ptm180 -49.09 -43.09 40.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.594 0.961 . . . . 1.98 113.594 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.061 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 0.9 OUTLIER -114.95 0.21 13.62 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-O 122.178 0.989 . . . . 2.12 110.881 -177.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 61.94 60.4 1.55 Allowed 'General case' 0 N--CA 1.403 -2.797 0 C-N-CA 117.665 -1.614 . . . . 3.09 110.169 177.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 27' ' ' LYS . 31.7 t-20 107.58 35.43 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.275 -0.875 . . . . 2.02 111.135 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.061 ' HB2' ' HB3' ' A' ' 26' ' ' PHE . 11.8 t0 -85.3 4.43 35.02 Favored 'General case' 0 CA--C 1.491 -1.325 0 CA-C-N 115.069 -0.968 . . . . 2.42 112.707 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -18.92 -49.46 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 O-C-N 124.691 1.244 . . . . 2.2 112.997 -179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.7 t -42.08 -47.5 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-O 121.42 0.628 . . . . 1.12 110.007 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' ASP . 8.1 mmtt -77.99 -37.14 47.92 Favored 'General case' 0 CA--C 1.486 -1.494 0 CA-C-N 114.664 -1.153 . . . . 2.92 112.819 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.578 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . . . -59.5 -52.28 66.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.41 -1.268 . . . . 0.62 110.226 -177.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.86 -39.48 68.68 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 114.712 -1.131 . . . . 1.52 111.824 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' LYS . 6.2 mmtt -76.49 -53.1 8.58 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 123.312 0.383 . . . . 2.21 111.798 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.667 ' CB ' ' CE1' ' A' ' 22' ' ' TYR . . . -49.58 -29.94 7.88 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.104 -0.953 . . . . 0.78 110.094 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.537 ' HG3' ' HE3' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -88.31 -45.98 9.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.626 -0.715 . . . . 0.77 110.789 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.08 -59.83 4.49 Favored 'General case' 0 CA--C 1.481 -1.683 0 CA-C-N 116.012 -0.54 . . . . 1.99 111.16 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.559 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 11.2 mtt -51.34 -65.07 0.62 Allowed 'General case' 0 N--CA 1.415 -2.209 0 C-N-CA 119.412 -0.915 . . . . 2.16 109.616 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.422 ' HA ' ' ND2' ' A' ' 43' ' ' ASN . 99.6 m -44.94 -21.12 0.05 OUTLIER 'General case' 0 C--N 1.339 0.121 0 O-C-N 124.853 1.345 . . . . 0.85 113.263 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.991 ' HZ3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -85.95 -42.19 14.25 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 120.912 0.387 . . . . 1.09 110.628 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.706 ' N ' ' HD1' ' A' ' 41' ' ' TRP . 11.8 m-80 -77.52 -35.11 53.72 Favored 'General case' 0 CA--C 1.485 -1.547 0 CA-C-N 115.439 -0.8 . . . . 1.93 111.868 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.562 HD22 ' H ' ' A' ' 43' ' ' ASN 0.33 0.0 OUTLIER -66.24 -16.32 63.92 Favored 'General case' 0 CA--C 1.489 -1.397 0 C-N-CA 117.756 -1.578 . . . . 2.13 110.181 -178.642 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.774 ' CG ' ' HG2' ' A' ' 48' ' ' GLU . 3.4 tpt -87.54 -33.89 18.78 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 115.436 1.643 . . . . 1.67 115.436 -174.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.746 ' HB2' ' O ' ' A' ' 44' ' ' MET . 25.9 mt-10 88.91 -166.13 0.01 OUTLIER 'General case' 0 CA--C 1.477 -1.836 0 O-C-N 125.896 1.997 . . . . 2.58 111.863 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' LEU . 30.4 tttt -46.66 -23.65 0.44 Allowed 'General case' 0 N--CA 1.39 -3.443 0 CA-C-N 114.12 -1.4 . . . . 2.77 113.079 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.933 ' O ' ' HG3' ' A' ' 51' ' ' MET . 0.1 OUTLIER -55.4 -61.67 2.19 Favored 'General case' 0 C--O 1.18 -2.574 0 C-N-CA 119.488 -0.885 . . . . 3.04 113.074 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.774 ' HG2' ' CG ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -73.17 -68.03 0.53 Allowed 'General case' 0 C--N 1.298 -1.637 0 CA-C-O 122.439 1.114 . . . . 2.0 108.172 -178.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HD3' ' NE1' ' A' ' 41' ' ' TRP . 8.9 mtmt -33.6 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 113.305 -1.771 . . . . 1.84 113.715 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.594 ' HB2' ' HG2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -49.25 -48.89 45.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.813 0.696 . . . . 0.74 112.09 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.933 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 2.0 mtp -64.14 -34.93 79.19 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 113.849 1.055 . . . . 2.13 113.849 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.76 ' CE3' ' HE3' ' A' ' 41' ' ' TRP . 36.6 m0 -61.67 -37.6 84.66 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.278 -1.008 . . . . 0.53 108.278 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.54 HG23 ' CB ' ' A' ' 9' ' ' ARG . 49.7 mt -53.08 -61.89 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 CA-C-N 113.973 -1.467 . . . . 1.16 109.359 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.812 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 2.6 ttmt -54.76 -28.43 48.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 114.907 1.447 . . . . 2.13 114.907 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.855 ' HG2' HG12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -60.76 -54.25 47.48 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 119.513 -0.875 . . . . 2.5 110.37 179.194 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.872 ' HB3' ' CA ' ' A' ' 9' ' ' ARG . . . -85.1 -16.7 39.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.106 -0.952 . . . . 0.5 110.606 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB3' ' HA ' ' A' ' 54' ' ' LYS . . . -77.66 -33.76 53.33 Favored 'General case' 0 CA--C 1.493 -1.223 0 N-CA-C 106.414 -1.698 . . . . 0.64 106.414 177.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 1.2 tt0 -72.73 -29.93 63.75 Favored 'General case' 0 N--CA 1.414 -2.25 0 CA-C-N 113.552 -1.658 . . . . 2.44 108.023 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.662 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -82.86 -30.02 28.93 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 114.835 -1.075 . . . . 1.41 111.65 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.95 ' HA ' ' HG2' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -57.68 -20.73 35.85 Favored 'General case' 0 CA--C 1.48 -1.747 0 C-N-CA 125.639 1.576 . . . . 1.93 113.683 -178.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 65' ' ' ARG 0.43 14.5 mttt -60.41 -41.86 94.8 Favored 'General case' 1 C--N 1.225 -4.839 0 N-CA-C 117.604 2.446 . . . . 3.79 117.604 177.299 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 62' ' ' ARG 0.26 0.0 OUTLIER -61.03 -39.04 88.25 Favored 'General case' 1 CA--C 1.398 -4.882 0 CA-C-O 125.708 2.67 . . . . 3.53 113.163 -174.584 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.891 ' CE2' ' HA ' ' A' ' 6' ' ' SER 0.298 0.0 OUTLIER -84.16 -34.75 23.95 Favored 'General case' 2 N--CA 1.277 -9.075 1 CA-C-N 106.07 -5.059 . . . . 5.95 110.99 -172.444 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.879 ' HA ' ' CD1' ' A' ' 67' ' ' LEU 0.254 2.1 tt0 -58.32 -35.74 72.33 Favored 'General case' 0 N--CA 1.509 2.524 0 CA-C-O 127.258 3.409 . . . . 2.55 111.695 176.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 61' ' ' LYS 0.331 0.2 OUTLIER -73.85 -31.23 63.09 Favored 'General case' 2 N--CA 1.351 -5.419 1 CA-C-N 107.472 -4.422 . . . . 5.16 112.723 -175.772 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 1.029 ' CB ' ' HG3' ' A' ' 4' ' ' PRO . 1.4 mm-40 -59.29 -47.87 83.74 Favored 'General case' 0 N--CA 1.383 -3.781 0 N-CA-C 104.167 -2.531 . . . . 2.5 104.167 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.039 ' CA ' ' HB2' ' A' ' 2' ' ' LYS 0.274 0.0 OUTLIER -67.32 -79.59 0.05 OUTLIER 'General case' 2 N--CA 1.357 -5.084 0 CA-C-N 111.848 -2.433 . . . . 2.13 111.871 -177.852 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 1.022 ' C ' ' HB3' ' A' ' 72' ' ' ALA . 27.3 t -28.39 -56.71 0.12 Allowed 'General case' 1 N--CA 1.364 -4.768 0 O-C-N 126.652 2.47 . . . . 2.09 108.778 -176.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.633 ' N ' ' HB3' ' A' ' 72' ' ' ALA 0.332 0.5 OUTLIER -23.53 -47.46 0.01 OUTLIER 'General case' 0 CA--C 1.434 -3.501 0 CA-C-O 125.085 2.374 . . . . 3.47 115.469 177.716 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.684 ' HB3' ' HA2' ' A' ' 1' ' ' GLY . 0.7 OUTLIER -60.71 -45.09 95.56 Favored 'General case' 2 N--CA 1.343 -5.791 1 CA-C-N 107.806 -4.27 . . . . 4.42 111.544 -174.121 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 1.02 ' CA ' ' HD3' ' A' ' 73' ' ' PRO 0.397 0.0 OUTLIER -103.9 17.37 24.25 Favored 'General case' 3 CA--C 1.303 -8.521 1 CA-C-N 107.913 -4.221 . . . . 6.69 115.472 175.889 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 1.343 ' HB1' ' C ' ' A' ' 75' ' ' ALA 0.618 . . -134.04 51.21 6.1 Favored Pre-proline 3 N--CA 1.129 -16.488 1 N-CA-C 97.946 -4.835 . . . . 4.17 97.946 -178.123 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 1.085 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 80.5 Cg_exo -60.08 -46.63 18.1 Favored 'Trans proline' 2 C--N 1.458 6.298 2 N-CA-C 96.042 -6.176 . . . . 6.05 96.042 171.806 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 1.452 ' CA ' ' C ' ' A' ' 74' ' ' PRO 0.655 0.0 OUTLIER -90.86 -62.0 0.01 OUTLIER 'Trans proline' 2 C--O 2.246 50.887 1 CA-C-O 138.79 7.746 . . . . 6.38 105.624 171.028 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.541 ' N ' ' CA ' ' A' ' 75' ' ' ALA . . . -28.64 1.97 0.0 OUTLIER 'General case' 3 C--N 1.704 16.016 2 CA-C-N 99.743 -7.935 . . . . 6.66 100.981 169.936 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.441 ' C ' ' CA ' ' A' ' 76' ' ' ALA 0.396 . . -126.5 -163.18 1.21 Allowed 'General case' 2 N--CA 2.267 40.407 2 C-N-CA 159.116 14.967 . . . . 9.52 112.499 156.93 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 1.128 HG21 ' CD2' ' A' ' 83' ' ' LEU 0.703 0.8 OUTLIER -73.67 99.76 3.19 Favored 'General case' 2 N--CA 1.647 9.393 4 O-C-N 103.009 -12.307 . . . . 11.27 137.82 166.379 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 1.455 ' CA ' ' C ' ' A' ' 78' ' ' ASN 0.793 2.9 t-20 164.46 56.63 0.0 OUTLIER 'General case' 1 CA--C 1.825 11.521 1 CA-C-N 102.375 -6.739 . . . . 10.13 111.749 149.23 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 1.401 ' CB ' ' OG ' ' A' ' 79' ' ' SER 1.191 12.9 t -120.95 -105.15 0.38 Allowed 'General case' 3 N--CA 2.125 33.313 1 N-CA-C 123.255 4.539 . . . . 9.95 123.255 -161.06 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 1.411 ' HA ' ' CA ' ' A' ' 75' ' ' ALA 2.391 5.0 p 175.18 95.29 0.01 OUTLIER 'General case' 4 C--O 1.613 20.231 5 CA-C-N 23.013 -42.812 . . . . 12.41 70.709 -129.618 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 1.408 ' C ' ' N ' ' A' ' 82' ' ' LYS 0.417 0.0 OUTLIER -173.75 -21.74 0.01 OUTLIER 'General case' 3 CA--C 1.949 16.325 3 O-C-N 154.24 19.712 . . . . 14.27 107.616 -169.943 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 1.553 ' CB ' ' CG ' ' A' ' 82' ' ' LYS 2.43 0.0 OUTLIER 100.8 -98.06 0.0 OUTLIER 'General case' 3 C--N 1.733 17.256 4 C-N-CA 96.346 -10.142 . . . . 16.64 120.296 -139.563 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.569 ' HA ' ' CB ' ' A' ' 83' ' ' LEU 1.686 0.0 OUTLIER 41.0 53.13 3.35 Favored 'General case' 4 C--N 1.994 28.615 3 O-C-N 156.08 20.862 . . . . 17.2 102.39 112.401 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 1.472 ' CB ' ' CA ' ' A' ' 84' ' ' GLU 1.025 21.9 mt-10 . . . . . 1 N--CA 1.123 -16.801 3 CA-C-N 72.765 -20.198 . . . . 18.97 119.953 161.633 . . . . . . . . 4 2 . 1 stop_ save_