data_2nvj_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 2nvj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.6600000000000001 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.8000000000000007 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 4.1799999999999997 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.1200000000000001 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 HG22 ' SG ' ' A' ' 6' ' ' CYS . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.4900000000000002 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 7.5999999999999996 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.8100000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 4.25 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.96 111.174 -175.713 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.6600000000000001 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.8000000000000007 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 4.1799999999999997 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.1200000000000001 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.4900000000000002 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 7.5999999999999996 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.8100000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 4.25 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.96 112.222 172.223 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.6600000000000001 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.8000000000000007 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 4.1799999999999997 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' O ' ' HB ' ' A' ' 10' ' ' THR . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.1200000000000001 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.4900000000000002 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 7.5999999999999996 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.8100000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 4.25 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.96 112.306 -174.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.564 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.6600000000000001 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.8000000000000007 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.741 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 4.1799999999999997 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.741 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.1200000000000001 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.564 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.4900000000000002 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 7.5999999999999996 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.8100000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 4.25 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.96 112.035 177.342 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.468 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.6600000000000001 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.8000000000000007 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 4.1799999999999997 107.697 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.1200000000000001 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.4900000000000002 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 7.5999999999999996 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 12' ' ' SER . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.8100000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 4.25 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' THR . 20.5 t . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.96 110.362 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.477 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.6600000000000001 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.8000000000000007 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 4.1799999999999997 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.1200000000000001 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.4900000000000002 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 7.5999999999999996 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.8100000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 4.25 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.96 110.005 -175.69 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.6600000000000001 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.8000000000000007 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.841 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 4.1799999999999997 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.738 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 2.8 t30 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.1200000000000001 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG22 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.4900000000000002 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.449 ' HB3' ' CD ' ' A' ' 1' ' ' GLU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.738 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 7.5999999999999996 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.8100000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 4.25 112.696 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.96 110.621 -177.231 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.833 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.6600000000000001 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.8000000000000007 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 4.1799999999999997 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.667 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.1200000000000001 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.833 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.4900000000000002 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 7.5999999999999996 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.8100000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 4.25 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.96 112.476 -172.047 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.784 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.6600000000000001 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.8000000000000007 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 4.1799999999999997 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 1.028 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 1.9 t30 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.1200000000000001 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.784 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.4900000000000002 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 1.028 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 7.5999999999999996 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.8100000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 4.25 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.96 110.082 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.6600000000000001 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.489 ' H ' HG23 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.8000000000000007 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 4.1799999999999997 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' HG21 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.1200000000000001 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.4900000000000002 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.521 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 7.5999999999999996 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.8100000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 4.25 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.96 110.635 178.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.6600000000000001 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.8000000000000007 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 4.1799999999999997 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.427 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.1200000000000001 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.4900000000000002 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 7.5999999999999996 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.8100000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 4.25 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.96 109.969 174.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.6600000000000001 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.8000000000000007 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 4.1799999999999997 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.444 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.1200000000000001 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.414 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.4900000000000002 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 7.5999999999999996 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.8100000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 4.25 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.96 113.185 -170.76 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.518 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.6600000000000001 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.8000000000000007 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 4.1799999999999997 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.504 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.1200000000000001 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.4900000000000002 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.477 ' HG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 7.5999999999999996 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.8100000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 4.25 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.96 111.129 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.6600000000000001 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.8000000000000007 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 4.1799999999999997 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.554 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.1200000000000001 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.4900000000000002 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 7.5999999999999996 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.8100000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 4.25 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.96 111.185 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.522 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.6600000000000001 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.8000000000000007 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.585 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 4.1799999999999997 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.613 ' O ' ' HB ' ' A' ' 10' ' ' THR . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.1200000000000001 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.4900000000000002 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 7.5999999999999996 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.613 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.8100000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 4.25 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.96 110.995 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.6600000000000001 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.403 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.8000000000000007 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 4.1799999999999997 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.402 ' C ' ' H ' ' A' ' 7' ' ' VAL . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.592 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.1200000000000001 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG21 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.4900000000000002 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 7.5999999999999996 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.8100000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 4.25 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.96 110.61 -179.565 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.649 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.6600000000000001 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.8000000000000007 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 4.1799999999999997 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.523 ' HA ' ' HD1' ' A' ' 9' ' ' HIS . 4.2 t30 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.505 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.1200000000000001 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.649 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.4900000000000002 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HD1' ' HA ' ' A' ' 5' ' ' ASN . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 7.5999999999999996 110.79 -174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.8100000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 4.25 112.553 176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.96 111.372 -177.618 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.6600000000000001 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.8000000000000007 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 4.1799999999999997 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.625 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.1200000000000001 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG23 ' SG ' ' A' ' 6' ' ' CYS . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.4900000000000002 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 7.5999999999999996 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.8100000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 4.25 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.96 110.867 175.287 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.6600000000000001 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.8000000000000007 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 4.1799999999999997 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.519 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.1200000000000001 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.4900000000000002 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 7.5999999999999996 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.8100000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 4.25 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.96 110.309 179.378 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.56 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.6600000000000001 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.8000000000000007 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 4.1799999999999997 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.502 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.1200000000000001 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.4900000000000002 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 7.5999999999999996 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.502 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.8100000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 4.25 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.96 110.625 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.6600000000000001 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.8000000000000007 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 4.1799999999999997 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.489 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.1200000000000001 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.635 HG11 HD23 ' A' ' 14' ' ' LEU . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.4900000000000002 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 7.5999999999999996 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.8100000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 4.25 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -53.11 -44.66 67.84 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.96 111.174 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.06 -19.96 55.6 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.166 -0.925 . . . . 7.2800000000000002 112.081 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.635 HD23 HG11 ' A' ' 7' ' ' VAL . 56.3 tp -90.4 -23.22 21.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.889 0.376 . . . . 5.75 111.071 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -110.65 -46.77 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.158 0.429 . . . . 8.8599999999999994 112.158 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD21 ' HB1' ' A' ' 24' ' ' ALA . 18.0 tp -71.94 -13.84 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.352 0.596 . . . . 6.4699999999999998 110.896 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -71.01 -4.01 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 6.9900000000000002 110.512 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.72 2.14 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.476 -0.329 . . . . 4.7999999999999998 111.642 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.59 31.08 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 6.71 110.711 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 t -90.04 125.59 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.807 -0.442 . . . . 3.0 109.807 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.95 -45.55 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 5.6399999999999997 110.225 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.04 -35.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 5.0599999999999996 111.642 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.495 ' HD1' ' C ' ' A' ' 25' ' ' GLN . 8.1 p80 -157.47 118.19 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.931 0.396 . . . . 6.6100000000000003 110.984 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -57.1 -43.04 81.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.53 -0.759 . . . . 6.25 110.393 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 60.6 tt0 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.439 -0.801 . . . . 10.050000000000001 109.091 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.424 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.6600000000000001 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.8000000000000007 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 4.1799999999999997 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.1200000000000001 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.4900000000000002 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 7.5999999999999996 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.8100000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 4.25 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m -49.55 -35.12 19.35 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.96 112.222 172.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 51.8 t80 -58.13 -32.79 68.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.648 -0.705 . . . . 7.2800000000000002 111.22 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.01 -9.8 20.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 5.75 111.072 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -82.58 -33.67 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 8.8599999999999994 109.835 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' A' ' 20' ' ' SER . 38.0 tp -90.51 -20.46 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 6.4699999999999998 110.137 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.485 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 42.9 t-105 -67.58 94.46 0.42 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.957 -0.565 . . . . 6.9900000000000002 110.487 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.97 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.647 -0.706 . . . . 4.7999999999999998 110.017 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.4 mt -130.59 27.19 5.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.562 -0.745 . . . . 6.71 109.492 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.59 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -88.25 135.57 33.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.506 -0.77 . . . . 3.0 110.53 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -79.65 84.39 5.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.836 -0.802 . . . . 5.6399999999999997 108.836 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.19 -5.82 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 5.0599999999999996 110.748 -175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.21 124.67 9.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.551 -0.75 . . . . 6.6100000000000003 110.806 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.12 -22.18 49.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.173 -0.677 . . . . 6.25 109.173 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-N 114.871 -1.059 . . . . 10.050000000000001 108.729 175.298 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.441 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.6600000000000001 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.8000000000000007 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 4.1799999999999997 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' O ' HD21 ' A' ' 14' ' ' LEU . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.1200000000000001 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.4900000000000002 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 7.5999999999999996 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.45 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.8100000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 4.25 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.51 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . 1.6 t -50.33 -48.17 55.53 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.96 112.306 -174.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.13 -23.69 67.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 7.2800000000000002 111.537 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD21 ' O ' ' A' ' 6' ' ' CYS . 4.2 mm? -111.13 -43.82 3.68 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.029 0.381 . . . . 5.75 112.029 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -91.72 -38.56 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.62 0.248 . . . . 8.8599999999999994 111.382 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 12' ' ' SER . 92.0 mt -95.99 6.2 49.42 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.749 -0.38 . . . . 6.4699999999999998 111.126 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -74.08 -15.06 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.834 0.826 . . . . 6.9900000000000002 109.437 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.77 145.84 27.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.994 -1.003 . . . . 4.7999999999999998 108.949 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt 69.75 2.12 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.89 0.744 . . . . 6.71 110.422 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -81.44 68.15 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.795 -0.817 . . . . 3.0 108.795 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.14 -44.17 96.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.818 -0.628 . . . . 5.6399999999999997 110.06 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.43 -38.23 0.18 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.675 -0.41 . . . . 5.0599999999999996 111.499 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.53 156.42 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.262 -0.575 . . . . 6.6100000000000003 111.467 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.15 -17.54 14.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.481 -0.782 . . . . 6.25 109.662 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 25' ' ' GLN . 7.1 tp-100 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.07 -0.967 . . . . 10.050000000000001 109.755 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.564 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.6600000000000001 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.8000000000000007 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.741 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 4.1799999999999997 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.741 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.1200000000000001 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.853 HG12 HD22 ' A' ' 14' ' ' LEU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.4900000000000002 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 7.5999999999999996 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.8100000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 4.25 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -50.64 -41.81 55.6 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.96 112.035 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 7.2800000000000002 111.516 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.853 HD22 HG12 ' A' ' 7' ' ' VAL . 48.6 tp -94.69 -27.08 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.733 0.302 . . . . 5.75 111.655 -176.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.98 -49.43 7.35 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.873 0.323 . . . . 8.8599999999999994 111.873 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.57 -70.19 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.895 -0.322 . . . . 6.4699999999999998 110.275 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.3 t90 53.33 85.98 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.912 0.758 . . . . 6.9900000000000002 111.468 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 112.33 7.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 4.7999999999999998 109.877 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt 63.2 26.51 15.26 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.687 0.617 . . . . 6.71 110.718 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -99.73 -179.54 4.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 3.0 110.368 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -152.03 -58.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 5.6399999999999997 109.436 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.43 -42.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 5.0599999999999996 110.815 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.66 126.79 18.46 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.084 -0.507 . . . . 6.6100000000000003 110.106 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.52 1.16 56.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.086 0.47 . . . . 6.25 110.681 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 C--O 1.244 0.804 0 CA-C-N 115.532 -0.758 . . . . 10.050000000000001 109.741 179.485 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.468 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.6600000000000001 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.8000000000000007 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 4.1799999999999997 107.697 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.1200000000000001 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.4900000000000002 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 7.5999999999999996 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.677 HG23 ' HB3' ' A' ' 13' ' ' TYR . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.8100000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 4.25 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 10' ' ' THR . 20.5 t -57.95 -55.08 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.96 110.362 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.677 ' HB3' HG23 ' A' ' 10' ' ' THR . 90.8 t80 -59.39 -32.64 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 7.2800000000000002 111.065 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.16 -39.8 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 5.75 110.457 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.117 -0.492 . . . . 8.8599999999999994 110.183 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 6.4699999999999998 110.682 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.48 -23.03 64.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.805 -0.634 . . . . 6.9900000000000002 111.151 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.29 -30.76 54.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.355 0.598 . . . . 4.7999999999999998 110.191 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.42 8.21 42.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 6.71 109.348 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -94.11 5.74 50.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.624 -0.716 . . . . 3.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.01 176.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.775 0.672 . . . . 5.6399999999999997 111.128 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.11 -40.67 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 5.0599999999999996 111.383 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -124.69 -177.31 3.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.26 . . . . 6.6100000000000003 111.026 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.03 31.99 6.57 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.15 0.58 . . . . 6.25 110.643 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.219 -0.896 . . . . 10.050000000000001 110.279 178.525 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.477 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.6600000000000001 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.8000000000000007 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 4.1799999999999997 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.1200000000000001 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.4900000000000002 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 7.5999999999999996 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.8100000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 4.25 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -123.88 -47.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.96 110.005 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -74.15 -25.08 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 7.2800000000000002 110.189 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.07 -15.45 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 5.75 111.582 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -129.94 126.99 39.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.749 0.309 . . . . 8.8599999999999994 111.247 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp 74.27 -63.58 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.267 -0.879 . . . . 6.4699999999999998 111.149 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.3 t90 63.17 18.27 10.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.543 0.687 . . . . 6.9900000000000002 111.027 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 -51.53 5.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 4.7999999999999998 111.426 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -104.4 5.74 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.346 0.593 . . . . 6.71 109.806 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.2 t -76.1 123.98 26.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.447 -0.797 . . . . 3.0 109.85 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.07 99.17 3.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 5.6399999999999997 109.996 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.27 -42.67 9.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.305 0.574 . . . . 5.0599999999999996 109.858 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -90.97 127.81 36.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.689 -0.687 . . . . 6.6100000000000003 110.401 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.77 -9.78 42.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 6.25 110.164 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.243 0.733 0 CA-C-N 115.211 -0.904 . . . . 10.050000000000001 109.017 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.841 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.6600000000000001 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.8000000000000007 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.841 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 4.1799999999999997 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.738 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 2.8 t30 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.1200000000000001 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG22 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.4900000000000002 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.464 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.738 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 7.5999999999999996 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.8100000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 4.25 112.696 174.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 1.5 t -57.95 -36.6 72.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.96 110.621 -177.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.44 -10.69 60.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.991 -1.459 . . . . 7.2800000000000002 111.374 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 1.6 pp -106.43 -30.52 9.05 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 122.23 -0.294 . . . . 5.75 110.478 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -167.61 169.94 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.086 -0.339 . . . . 8.8599999999999994 110.086 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.3 90.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 6.4699999999999998 110.175 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -160.54 134.78 7.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.431 -0.35 . . . . 6.9900000000000002 110.78 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.1 -78.34 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.508 -0.769 . . . . 4.7999999999999998 111.695 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.785 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 90.5 mt -89.49 47.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.803 0.335 . . . . 6.71 111.292 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.0 t -78.82 161.39 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.928 -0.397 . . . . 3.0 109.928 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -95.19 151.29 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.709 0.29 . . . . 5.6399999999999997 110.593 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.76 -13.88 18.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.03 0.443 . . . . 5.0599999999999996 111.184 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.67 150.14 29.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.123 -0.49 . . . . 6.6100000000000003 110.246 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -31.88 14.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 6.25 110.587 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.617 -0.706 . . . . 10.050000000000001 109.564 177.41 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.833 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.6600000000000001 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.8000000000000007 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 4.1799999999999997 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.667 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.1200000000000001 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.833 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.4900000000000002 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 7.5999999999999996 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.8100000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 4.25 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -45.29 -56.58 4.74 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.96 112.476 -172.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -57.62 -30.17 65.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 7.2800000000000002 113.012 -171.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -114.88 0.73 13.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.953 -0.299 . . . . 5.75 111.679 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -123.83 -45.97 2.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 8.8599999999999994 111.691 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -87.76 3.34 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 6.4699999999999998 110.522 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -91.82 -0.63 57.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.518 0.675 . . . . 6.9900000000000002 109.595 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 137.61 32.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.824 -0.626 . . . . 4.7999999999999998 110.086 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt 65.92 17.82 10.92 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.805 0.691 . . . . 6.71 110.894 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 t -83.28 145.48 29.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 3.0 110.423 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.16 128.2 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 5.6399999999999997 110.2 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.73 -38.02 11.0 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 120.738 0.304 . . . . 5.0599999999999996 110.392 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.26 127.69 5.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.193 -0.458 . . . . 6.6100000000000003 111.037 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.11 -37.59 45.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.104 -0.702 . . . . 6.25 109.104 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.247 -0.888 . . . . 10.050000000000001 108.931 175.355 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.784 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.6600000000000001 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.8000000000000007 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 4.1799999999999997 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 1.028 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 1.9 t30 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.1200000000000001 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.784 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.4900000000000002 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 1.028 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 7.5999999999999996 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.795 HG22 ' HB3' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.8100000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 4.25 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t -101.76 -57.75 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.96 110.082 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.795 ' HB3' HG22 ' A' ' 10' ' ' THR . 82.4 t80 -58.69 -43.29 89.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.492 -0.777 . . . . 7.2800000000000002 111.625 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.634 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 51.1 tp -77.97 -24.56 48.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.366 . . . . 5.75 111.538 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -85.07 -37.1 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.909 -0.316 . . . . 8.8599999999999994 110.742 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.94 -65.31 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 6.4699999999999998 109.455 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 72.29 -42.76 0.54 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.023 0.929 . . . . 6.9900000000000002 111.753 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.56 144.29 25.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.111 -0.7 . . . . 4.7999999999999998 109.111 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt 59.47 22.0 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.558 0.536 . . . . 6.71 111.156 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.7 m -84.79 -9.94 57.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.915 -0.584 . . . . 3.0 110.05 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt 72.46 157.36 0.18 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.297 -0.865 . . . . 5.6399999999999997 111.789 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 0.39 49.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.396 0.617 . . . . 5.0599999999999996 110.051 176.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -148.8 133.98 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.473 -0.785 . . . . 6.6100000000000003 109.834 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -50.08 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.042 -0.526 . . . . 6.25 110.243 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.596 -0.729 . . . . 10.050000000000001 109.36 175.392 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.645 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.6600000000000001 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' H ' HG23 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.8000000000000007 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 4.1799999999999997 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' HG21 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.1200000000000001 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.645 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.4900000000000002 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.521 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 7.5999999999999996 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.8100000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 4.25 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -140.66 -54.83 0.51 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.96 110.635 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.08 -65.41 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.415 -0.812 . . . . 7.2800000000000002 112.357 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.35 -19.4 33.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.046 0.45 . . . . 5.75 111.181 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -145.03 102.54 3.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.361 -0.382 . . . . 8.8599999999999994 110.188 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.32 103.15 1.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.743 -0.465 . . . . 6.4699999999999998 109.743 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -145.26 -28.86 0.45 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.033 0.444 . . . . 6.9900000000000002 110.978 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.86 -55.8 7.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.203 0.525 . . . . 4.7999999999999998 111.125 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -97.41 25.0 5.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.785 -0.643 . . . . 6.71 110.263 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 3.0 110.465 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.52 -81.81 0.38 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 5.6399999999999997 111.118 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 -42.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 5.0599999999999996 110.781 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -147.43 151.12 35.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.172 -0.467 . . . . 6.6100000000000003 110.25 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.97 -32.26 11.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.631 -0.713 . . . . 6.25 109.971 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.46 -0.791 . . . . 10.050000000000001 109.139 175.128 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.581 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.6600000000000001 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.8000000000000007 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 4.1799999999999997 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.1200000000000001 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.581 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.4900000000000002 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 7.5999999999999996 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.8100000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 4.25 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.954 ' HA ' HD21 ' A' ' 16' ' ' LEU . 1.4 t -56.64 -44.56 81.42 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.96 109.969 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -68.72 -11.88 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.313 -0.858 . . . . 7.2800000000000002 110.652 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.8 mt -104.08 -38.63 6.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 5.75 111.73 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.46 -45.67 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.698 -0.401 . . . . 8.8599999999999994 111.973 -173.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.954 HD21 ' HA ' ' A' ' 12' ' ' SER . 3.7 mm? -72.39 -22.47 61.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.921 0.391 . . . . 6.4699999999999998 110.69 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.558 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 67.3 t90 -69.16 -21.84 63.97 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.77 -0.65 . . . . 6.9900000000000002 110.94 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -37.13 63.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.062 -0.517 . . . . 4.7999999999999998 111.698 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 tp -134.76 38.84 3.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.003 -0.74 . . . . 6.71 109.003 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 17' ' ' TRP . 13.0 t -83.95 -169.5 2.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.83 -0.623 . . . . 3.0 110.445 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.2 mp -80.0 139.6 36.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.863 -0.608 . . . . 5.6399999999999997 110.441 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.38 4.22 36.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 5.0599999999999996 110.525 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -141.48 138.64 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.508 -0.769 . . . . 6.6100000000000003 110.73 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.48 -27.77 21.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.343 0.592 . . . . 6.25 109.583 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.003 -0.999 . . . . 10.050000000000001 109.16 175.266 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.6600000000000001 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.8000000000000007 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 4.1799999999999997 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.444 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.1200000000000001 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.4900000000000002 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 7.5999999999999996 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.8100000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 4.25 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -49.87 -41.2 44.95 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.96 113.185 -170.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.98 -36.63 65.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 7.2800000000000002 112.15 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.13 -43.17 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 5.75 111.051 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -108.31 130.8 55.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.892 -0.594 . . . . 8.8599999999999994 109.841 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.4 85.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.123 0.487 . . . . 6.4699999999999998 111.441 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -143.51 103.91 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.767 -0.651 . . . . 6.9900000000000002 110.898 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.16 -67.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.377 -0.829 . . . . 4.7999999999999998 109.925 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -97.96 19.98 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.396 0.617 . . . . 6.71 109.534 176.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -70.24 104.62 2.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.165 -0.925 . . . . 3.0 110.988 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.18 -39.84 94.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 5.6399999999999997 110.914 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.89 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.408 -0.815 . . . . 5.0599999999999996 109.348 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -138.92 140.47 38.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.06 -0.973 . . . . 6.6100000000000003 109.512 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -39.23 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.394 0.616 . . . . 6.25 109.342 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.82 -1.086 . . . . 10.050000000000001 108.806 174.527 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.518 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.6600000000000001 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.8000000000000007 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 4.1799999999999997 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.504 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.1200000000000001 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.4900000000000002 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 7.5999999999999996 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.8100000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 4.25 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -53.49 -49.17 68.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.96 111.129 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 83.5 t80 -57.92 -45.47 86.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.651 . . . . 7.2800000000000002 111.357 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.89 -30.9 45.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.502 -0.317 . . . . 5.75 111.265 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -72.52 -37.08 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.118 0.485 . . . . 8.8599999999999994 111.042 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.79 -11.75 38.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 6.4699999999999998 111.779 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 11.9 t90 -72.26 80.66 1.0 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.492 0.663 . . . . 6.9900000000000002 110.453 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.06 -57.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.157 -0.928 . . . . 4.7999999999999998 109.831 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.51 4.44 39.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.93 -0.577 . . . . 6.71 110.374 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -63.68 -44.0 95.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.708 -0.678 . . . . 3.0 110.33 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt 57.33 -92.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.241 -0.89 . . . . 5.6399999999999997 111.711 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.37 -37.89 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 5.0599999999999996 110.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.465 ' C ' ' H ' ' A' ' 25' ' ' GLN . 7.1 p80 -155.02 -27.21 0.11 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 6.6100000000000003 110.501 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.24 -20.66 0.28 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.606 0.762 . . . . 6.25 111.911 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' H ' ' C ' ' A' ' 23' ' ' HIS . 25.0 tt0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 117.8 -1.095 . . . . 10.050000000000001 109.299 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.6600000000000001 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.8000000000000007 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 4.1799999999999997 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.554 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.1200000000000001 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 HG22 HD23 ' A' ' 14' ' ' LEU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.4900000000000002 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 7.5999999999999996 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.8100000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 4.25 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -58.76 -57.51 12.71 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.96 111.185 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' H ' HG22 ' A' ' 10' ' ' THR . 63.2 t80 -67.04 87.38 0.15 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.685 0.755 . . . . 7.2800000000000002 109.52 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD23 HG22 ' A' ' 7' ' ' VAL . 58.3 tp 175.71 -40.07 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.233 -1.349 . . . . 5.75 107.537 -171.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -160.44 -40.12 0.05 OUTLIER 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.514 -0.766 . . . . 8.8599999999999994 112.003 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.43 -4.39 58.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.716 -0.394 . . . . 6.4699999999999998 111.942 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -91.77 -27.42 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.948 0.404 . . . . 6.9900000000000002 111.058 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.32 143.04 50.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.104 -0.332 . . . . 4.7999999999999998 110.104 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt 70.7 11.86 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.584 0.553 . . . . 6.71 110.622 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 t -66.16 -66.64 0.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.283 -0.636 . . . . 3.0 109.283 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 tp -165.95 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 5.6399999999999997 109.68 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.07 25.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 5.0599999999999996 109.855 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -136.21 130.03 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 6.6100000000000003 111.303 -174.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.94 28.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.048 -0.723 . . . . 6.25 109.048 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.44 -0.931 0 CA-C-N 115.26 -0.882 . . . . 10.050000000000001 109.002 176.643 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.522 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.6600000000000001 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.8000000000000007 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.585 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 4.1799999999999997 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.613 ' O ' ' HB ' ' A' ' 10' ' ' THR . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.1200000000000001 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.626 ' HA ' HD22 ' A' ' 14' ' ' LEU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.4900000000000002 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 7.5999999999999996 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.613 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.8100000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 4.25 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -57.83 -40.75 80.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.96 110.995 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -59.22 -21.36 59.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.817 -1.083 . . . . 7.2800000000000002 113.171 -173.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.626 HD22 ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt? -114.51 14.87 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.835 -0.541 . . . . 5.75 111.451 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -141.58 -71.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.92 -0.312 . . . . 8.8599999999999994 111.522 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.68 -25.19 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 6.4699999999999998 110.345 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -59.03 -32.29 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 6.9900000000000002 111.032 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.22 -25.86 42.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 4.7999999999999998 110.283 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -102.57 13.05 35.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 6.71 110.044 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 151.01 47.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 3.0 110.07 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 tp -71.57 1.94 5.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.249 0.462 . . . . 5.6399999999999997 112.249 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -9.36 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.238 0.542 . . . . 5.0599999999999996 109.891 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -66.43 -25.92 66.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.344 -0.844 . . . . 6.6100000000000003 111.015 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.46 77.21 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.352 -0.385 . . . . 6.25 110.473 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.233 -0.889 . . . . 10.050000000000001 110.144 176.803 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.6600000000000001 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.403 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.8000000000000007 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 4.1799999999999997 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' C ' ' H ' ' A' ' 7' ' ' VAL . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.592 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.1200000000000001 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG21 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.4900000000000002 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 7.5999999999999996 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.8100000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 4.25 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m -135.08 -49.07 0.74 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.96 110.61 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -57.92 -37.2 73.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.299 -0.864 . . . . 7.2800000000000002 112.544 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.22 -21.91 66.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.973 0.416 . . . . 5.75 111.294 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -113.83 -6.02 13.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 8.8599999999999994 110.543 -175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp 61.09 25.22 15.26 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.605 -0.725 . . . . 6.4699999999999998 110.886 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -104.3 103.42 13.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 6.9900000000000002 110.133 -175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.17 86.55 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 4.7999999999999998 110.311 176.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 32.9 tp 62.11 28.92 17.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.541 0.686 . . . . 6.71 110.197 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 t -87.68 156.43 19.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.822 -0.627 . . . . 3.0 110.288 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.31 -153.62 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.607 -0.516 . . . . 5.6399999999999997 109.607 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.24 -3.6 58.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.436 0.636 . . . . 5.0599999999999996 109.899 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -130.91 142.43 50.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.167 -0.924 . . . . 6.6100000000000003 109.59 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.43 -23.93 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 6.25 109.731 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--O 1.245 0.818 0 CA-C-N 115.4 -0.818 . . . . 10.050000000000001 109.083 175.518 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.649 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.6600000000000001 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.8000000000000007 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 4.1799999999999997 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.523 ' HA ' ' HD1' ' A' ' 9' ' ' HIS . 4.2 t30 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.1200000000000001 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.886 ' HA ' HD22 ' A' ' 14' ' ' LEU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.4900000000000002 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.523 ' HD1' ' HA ' ' A' ' 5' ' ' ASN . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 7.5999999999999996 110.79 -174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.8100000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 16' ' ' LEU . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 4.25 112.553 176.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -53.14 -40.41 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.96 111.372 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -64.25 -14.68 57.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.235 -0.893 . . . . 7.2800000000000002 111.689 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.886 HD22 ' HA ' ' A' ' 7' ' ' VAL . 3.2 mm? -97.23 13.22 30.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.601 -0.272 . . . . 5.75 110.316 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 69.03 21.02 7.55 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.764 0.665 . . . . 8.8599999999999994 110.021 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 11' ' ' ALA . 35.8 tp -78.59 1.74 21.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.674 -0.694 . . . . 6.4699999999999998 110.767 -176.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -91.84 -49.43 6.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 6.9900000000000002 110.573 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.93 -42.77 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.487 -0.324 . . . . 4.7999999999999998 111.729 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.29 27.23 1.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.987 0.422 . . . . 6.71 110.149 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.539 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 8.5 t -84.88 174.75 9.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 3.0 110.413 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.61 147.69 44.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 5.6399999999999997 109.953 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.29 1.43 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 5.0599999999999996 110.277 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -167.88 135.52 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.779 -0.646 . . . . 6.6100000000000003 110.082 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.59 -37.46 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.499 . . . . 6.25 110.72 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.545 -0.74 . . . . 10.050000000000001 109.871 179.652 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.6600000000000001 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.8000000000000007 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 4.1799999999999997 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.625 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.1200000000000001 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.544 HG21 ' HG ' ' A' ' 14' ' ' LEU . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.4900000000000002 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 7.5999999999999996 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.8100000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 4.25 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -53.27 -40.27 64.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.96 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -99.38 -24.98 14.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.048 -0.978 . . . . 7.2800000000000002 111.108 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 7' ' ' VAL . 4.5 mm? -90.04 -7.84 52.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.506 -0.316 . . . . 5.75 111.412 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -125.81 169.1 12.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.505 -0.316 . . . . 8.8599999999999994 110.497 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.27 72.39 4.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 6.4699999999999998 109.949 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -112.25 -23.21 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 6.9900000000000002 110.29 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.92 127.02 35.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.396 . . . . 4.7999999999999998 110.157 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.55 10.36 6.59 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.234 0.54 . . . . 6.71 110.641 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -107.46 122.23 46.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.831 -0.622 . . . . 3.0 110.921 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -91.94 -50.15 5.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.419 -0.355 . . . . 5.6399999999999997 110.338 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.75 38.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 5.0599999999999996 112.018 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.56 118.61 33.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.212 -0.595 . . . . 6.6100000000000003 110.322 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.375 0.607 . . . . 6.25 109.477 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.281 -0.866 . . . . 10.050000000000001 109.168 174.274 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.6600000000000001 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.8000000000000007 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 4.1799999999999997 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.519 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.1200000000000001 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.4900000000000002 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.538 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 7.5999999999999996 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.8100000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 4.25 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -66.86 -42.29 85.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.96 110.309 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -59.59 -30.17 68.48 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.707 -0.679 . . . . 7.2800000000000002 111.589 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.41 3.05 55.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 5.75 110.446 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.513 ' HG2' HD22 ' A' ' 19' ' ' LEU . 1.0 OUTLIER 61.55 14.73 6.17 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.608 -0.724 . . . . 8.8599999999999994 112.251 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.93 8.98 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 6.4699999999999998 109.922 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -131.57 -25.96 2.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.164 -0.926 . . . . 6.9900000000000002 109.815 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.769 -0.65 . . . . 4.7999999999999998 111.293 -174.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD22 ' HG2' ' A' ' 15' ' ' ARG . 3.4 mm? -100.08 16.97 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 6.71 109.928 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -111.34 -172.04 1.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.488 -0.778 . . . . 3.0 110.426 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.7 130.39 49.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 5.6399999999999997 111.585 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.38 -26.44 14.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 5.0599999999999996 109.59 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -166.34 139.53 4.01 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.387 -0.824 . . . . 6.6100000000000003 109.921 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 -30.0 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 6.25 110.719 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.263 -0.875 . . . . 10.050000000000001 109.771 177.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.56 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.6600000000000001 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.8000000000000007 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 4.1799999999999997 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.502 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.1200000000000001 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.4900000000000002 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 7.5999999999999996 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.502 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.8100000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 4.25 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.54 -40.14 74.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.96 110.625 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.4 -28.66 68.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.304 -0.862 . . . . 7.2800000000000002 111.332 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.92 11.07 38.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 5.75 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 63.08 27.86 15.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.541 -0.754 . . . . 8.8599999999999994 111.026 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.56 11.65 37.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.268 0.556 . . . . 6.4699999999999998 110.17 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -137.79 -61.01 0.63 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.553 -0.749 . . . . 6.9900000000000002 109.495 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.92 135.66 33.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.044 -0.526 . . . . 4.7999999999999998 109.672 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt 63.8 28.94 14.82 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.333 0.395 . . . . 6.71 110.815 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.9 t -90.22 -4.68 57.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 3.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? 66.86 -174.46 0.19 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.147 0.499 . . . . 5.6399999999999997 111.446 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.08 -55.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.745 -0.661 . . . . 5.0599999999999996 109.451 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -75.86 143.22 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.478 -0.783 . . . . 6.6100000000000003 110.116 174.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.32 -26.59 28.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.199 0.524 . . . . 6.25 109.774 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.568 -0.742 . . . . 10.050000000000001 109.856 177.097 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.25 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.0099999999999998 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 3.7999999999999998 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.04 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' A' ' 6' ' ' CYS . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.0699999999999998 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 6.9299999999999997 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.3900000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 3.77 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.54 111.174 -175.713 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.25 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.0099999999999998 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 3.7999999999999998 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.04 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.0699999999999998 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 6.9299999999999997 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.3900000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 3.77 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.54 112.222 172.223 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.25 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.0099999999999998 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 3.7999999999999998 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' THR . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.04 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.0699999999999998 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 6.9299999999999997 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.3900000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 3.77 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.54 112.306 -174.047 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.574 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.25 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.0099999999999998 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.793 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 3.7999999999999998 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.793 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.04 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.0699999999999998 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 6.9299999999999997 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.3900000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 3.77 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.54 112.035 177.342 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.25 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.0099999999999998 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 3.7999999999999998 107.697 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.04 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.0699999999999998 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 6.9299999999999997 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.3900000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 3.77 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.54 110.362 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.482 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.25 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.0099999999999998 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.537 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.04 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.0699999999999998 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 6.9299999999999997 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.3900000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 3.77 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.54 110.005 -175.69 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.857 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.25 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.0099999999999998 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.857 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 3.7999999999999998 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.721 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 23.8 t-20 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.04 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.0699999999999998 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 1' ' ' GLU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 6.9299999999999997 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.3900000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 3.77 112.696 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.54 110.621 -177.231 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.848 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.25 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.0099999999999998 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 3.7999999999999998 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.737 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.04 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.0699999999999998 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 6.9299999999999997 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.3900000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 3.77 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.54 112.476 -172.047 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.25 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.0099999999999998 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 3.7999999999999998 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 1.005 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 21.0 t-20 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.04 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.0699999999999998 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 1.005 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 6.9299999999999997 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.3900000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 3.77 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.54 110.082 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.25 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.584 ' H ' HG21 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.0099999999999998 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 3.7999999999999998 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.04 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.0699999999999998 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 6.9299999999999997 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.3900000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 3.77 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.54 110.635 178.828 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.595 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.25 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.0099999999999998 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 3.7999999999999998 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.04 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.595 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.0699999999999998 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 6.9299999999999997 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.3900000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.54 109.969 174.629 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.25 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.0099999999999998 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 3.7999999999999998 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.04 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.0699999999999998 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 6.9299999999999997 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.3900000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 3.77 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.54 113.185 -170.76 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.25 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.0099999999999998 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 3.7999999999999998 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.587 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.04 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.0699999999999998 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 6.9299999999999997 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.3900000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 3.77 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.54 111.129 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.25 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.0099999999999998 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 3.7999999999999998 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.04 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.0699999999999998 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 6.9299999999999997 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.3900000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 3.77 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.54 111.185 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.529 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.25 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.0099999999999998 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 3.7999999999999998 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.673 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.04 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.0699999999999998 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 6.9299999999999997 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.3900000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 3.77 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.54 110.995 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.25 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.0099999999999998 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.665 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 3.7999999999999998 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.04 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.0699999999999998 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 6.9299999999999997 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.3900000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 3.77 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.54 110.61 -179.565 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.25 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.0099999999999998 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.553 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 3.7999999999999998 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.553 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.04 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.663 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.0699999999999998 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 6.9299999999999997 110.79 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.3900000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 3.77 112.553 176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.54 111.372 -177.618 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.25 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.0099999999999998 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 3.7999999999999998 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.633 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.04 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.476 HG23 ' SG ' ' A' ' 6' ' ' CYS . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.0699999999999998 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 6.9299999999999997 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.3900000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 3.77 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.54 110.867 175.287 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.25 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.0099999999999998 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 3.7999999999999998 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.04 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.0699999999999998 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.519 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 6.9299999999999997 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.3900000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 3.77 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.54 110.309 179.378 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.25 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.0099999999999998 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 3.7999999999999998 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.04 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.0699999999999998 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 6.9299999999999997 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.507 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.3900000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 3.77 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.54 110.625 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.25 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.0099999999999998 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 3.7999999999999998 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.04 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.648 HG13 HD22 ' A' ' 14' ' ' LEU . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.0699999999999998 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 6.9299999999999997 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.3900000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 3.77 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -53.11 -44.66 67.84 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.54 111.174 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.06 -19.96 55.6 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.166 -0.925 . . . . 7.0599999999999996 112.081 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD22 HG13 ' A' ' 7' ' ' VAL . 56.3 tp -90.4 -23.22 21.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.889 0.376 . . . . 5.2800000000000002 111.071 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -110.65 -46.77 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.158 0.429 . . . . 8.1500000000000004 112.158 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD23 ' HB1' ' A' ' 24' ' ' ALA . 18.0 tp -71.94 -13.84 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.352 0.596 . . . . 6.0999999999999996 110.896 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -71.01 -4.01 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 6.1100000000000003 110.512 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.72 2.14 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.476 -0.329 . . . . 4.4199999999999999 111.642 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.59 31.08 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 6.3700000000000001 110.711 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 t -90.04 125.59 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.807 -0.442 . . . . 3.0 109.807 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.95 -45.55 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 5.25 110.225 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.04 -35.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 4.6699999999999999 111.642 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -157.47 118.19 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.931 0.396 . . . . 5.9299999999999997 110.984 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -43.04 81.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.53 -0.759 . . . . 6.25 110.393 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.439 -0.801 . . . . 9.5399999999999991 109.091 177.108 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.25 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.0099999999999998 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 3.7999999999999998 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.04 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.0699999999999998 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 6.9299999999999997 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.3900000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 3.77 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m -49.55 -35.12 19.35 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.54 112.222 172.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 51.8 t80 -58.13 -32.79 68.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.648 -0.705 . . . . 7.0599999999999996 111.22 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.01 -9.8 20.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 5.2800000000000002 111.072 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -82.58 -33.67 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 8.1500000000000004 109.835 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 20' ' ' SER . 38.0 tp -90.51 -20.46 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 6.0999999999999996 110.137 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 42.9 t-105 -67.58 94.46 0.42 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.957 -0.565 . . . . 6.1100000000000003 110.487 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.97 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.647 -0.706 . . . . 4.4199999999999999 110.017 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.4 mt -130.59 27.19 5.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.562 -0.745 . . . . 6.3700000000000001 109.492 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -88.25 135.57 33.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.506 -0.77 . . . . 3.0 110.53 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -79.65 84.39 5.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.836 -0.802 . . . . 5.25 108.836 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.19 -5.82 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 4.6699999999999999 110.748 -175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.21 124.67 9.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.551 -0.75 . . . . 5.9299999999999997 110.806 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.12 -22.18 49.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.173 -0.677 . . . . 6.25 109.173 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-N 114.871 -1.059 . . . . 9.5399999999999991 108.729 175.298 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.25 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.0099999999999998 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 3.7999999999999998 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 14' ' ' LEU . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.04 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.0699999999999998 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 6.9299999999999997 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.3900000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 3.77 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . 1.6 t -50.33 -48.17 55.53 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.54 112.306 -174.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.13 -23.69 67.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 7.0599999999999996 111.537 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 6' ' ' CYS . 4.2 mm? -111.13 -43.82 3.68 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.029 0.381 . . . . 5.2800000000000002 112.029 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -91.72 -38.56 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.62 0.248 . . . . 8.1500000000000004 111.382 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' SER . 92.0 mt -95.99 6.2 49.42 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.749 -0.38 . . . . 6.0999999999999996 111.126 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -74.08 -15.06 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.834 0.826 . . . . 6.1100000000000003 109.437 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.77 145.84 27.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.994 -1.003 . . . . 4.4199999999999999 108.949 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt 69.75 2.12 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.89 0.744 . . . . 6.3700000000000001 110.422 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -81.44 68.15 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.795 -0.817 . . . . 3.0 108.795 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.14 -44.17 96.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.818 -0.628 . . . . 5.25 110.06 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.43 -38.23 0.18 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.675 -0.41 . . . . 4.6699999999999999 111.499 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.53 156.42 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.262 -0.575 . . . . 5.9299999999999997 111.467 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.15 -17.54 14.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.481 -0.782 . . . . 6.25 109.662 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.07 -0.967 . . . . 9.5399999999999991 109.755 178.294 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.574 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.25 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.0099999999999998 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.793 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 3.7999999999999998 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.793 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.04 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 14' ' ' LEU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.0699999999999998 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 6.9299999999999997 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.3900000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 3.77 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -50.64 -41.81 55.6 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.54 112.035 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 7.0599999999999996 111.516 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 7' ' ' VAL . 48.6 tp -94.69 -27.08 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.733 0.302 . . . . 5.2800000000000002 111.655 -176.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.98 -49.43 7.35 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.873 0.323 . . . . 8.1500000000000004 111.873 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.57 -70.19 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.895 -0.322 . . . . 6.0999999999999996 110.275 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.3 t90 53.33 85.98 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.912 0.758 . . . . 6.1100000000000003 111.468 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 112.33 7.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 4.4199999999999999 109.877 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt 63.2 26.51 15.26 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.687 0.617 . . . . 6.3700000000000001 110.718 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -99.73 -179.54 4.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 3.0 110.368 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -152.03 -58.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 5.25 109.436 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.43 -42.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 4.6699999999999999 110.815 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.66 126.79 18.46 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.084 -0.507 . . . . 5.9299999999999997 110.106 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.52 1.16 56.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.086 0.47 . . . . 6.25 110.681 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 C--O 1.244 0.804 0 CA-C-N 115.532 -0.758 . . . . 9.5399999999999991 109.741 179.485 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.25 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.0099999999999998 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 3.7999999999999998 107.697 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.04 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.0699999999999998 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 6.9299999999999997 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.708 HG21 ' HB3' ' A' ' 13' ' ' TYR . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.3900000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 3.77 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 20.5 t -57.95 -55.08 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.54 110.362 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' HB3' HG21 ' A' ' 10' ' ' THR . 90.8 t80 -59.39 -32.64 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 7.0599999999999996 111.065 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.16 -39.8 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 5.2800000000000002 110.457 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.117 -0.492 . . . . 8.1500000000000004 110.183 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 12' ' ' SER . 88.5 mt -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 6.0999999999999996 110.682 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.48 -23.03 64.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.805 -0.634 . . . . 6.1100000000000003 111.151 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.29 -30.76 54.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.355 0.598 . . . . 4.4199999999999999 110.191 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.42 8.21 42.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 6.3700000000000001 109.348 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -94.11 5.74 50.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.624 -0.716 . . . . 3.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.01 176.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.775 0.672 . . . . 5.25 111.128 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.11 -40.67 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 4.6699999999999999 111.383 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -124.69 -177.31 3.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.26 . . . . 5.9299999999999997 111.026 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.03 31.99 6.57 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.15 0.58 . . . . 6.25 110.643 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.219 -0.896 . . . . 9.5399999999999991 110.279 178.525 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.25 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.0099999999999998 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.04 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.0699999999999998 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 6.9299999999999997 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.3900000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 3.77 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -123.88 -47.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.54 110.005 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -74.15 -25.08 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 7.0599999999999996 110.189 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.07 -15.45 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 5.2800000000000002 111.582 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -129.94 126.99 39.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.749 0.309 . . . . 8.1500000000000004 111.247 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp 74.27 -63.58 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.267 -0.879 . . . . 6.0999999999999996 111.149 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.3 t90 63.17 18.27 10.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.543 0.687 . . . . 6.1100000000000003 111.027 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 -51.53 5.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 4.4199999999999999 111.426 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -104.4 5.74 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.346 0.593 . . . . 6.3700000000000001 109.806 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.2 t -76.1 123.98 26.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.447 -0.797 . . . . 3.0 109.85 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.07 99.17 3.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 5.25 109.996 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.27 -42.67 9.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.305 0.574 . . . . 4.6699999999999999 109.858 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -90.97 127.81 36.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.689 -0.687 . . . . 5.9299999999999997 110.401 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.77 -9.78 42.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 6.25 110.164 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--O 1.243 0.733 0 CA-C-N 115.211 -0.904 . . . . 9.5399999999999991 109.017 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.857 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.25 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.0099999999999998 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.857 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 3.7999999999999998 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.721 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 23.8 t-20 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.04 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.0699999999999998 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 6.9299999999999997 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.3900000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 3.77 112.696 174.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.81 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 1.5 t -57.95 -36.6 72.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.54 110.621 -177.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.44 -10.69 60.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.991 -1.459 . . . . 7.0599999999999996 111.374 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 1.6 pp -106.43 -30.52 9.05 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 122.23 -0.294 . . . . 5.2800000000000002 110.478 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -167.61 169.94 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.086 -0.339 . . . . 8.1500000000000004 110.086 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.3 90.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 6.0999999999999996 110.175 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -160.54 134.78 7.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.431 -0.35 . . . . 6.1100000000000003 110.78 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.1 -78.34 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.508 -0.769 . . . . 4.4199999999999999 111.695 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 90.5 mt -89.49 47.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.803 0.335 . . . . 6.3700000000000001 111.292 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.0 t -78.82 161.39 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.928 -0.397 . . . . 3.0 109.928 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -95.19 151.29 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.709 0.29 . . . . 5.25 110.593 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.76 -13.88 18.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.03 0.443 . . . . 4.6699999999999999 111.184 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.67 150.14 29.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.123 -0.49 . . . . 5.9299999999999997 110.246 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -31.88 14.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 6.25 110.587 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.617 -0.706 . . . . 9.5399999999999991 109.564 177.41 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.848 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.25 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.0099999999999998 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 3.7999999999999998 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.737 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.04 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.0699999999999998 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 6.9299999999999997 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.3900000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 3.77 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -45.29 -56.58 4.74 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.54 112.476 -172.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -57.62 -30.17 65.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 7.0599999999999996 113.012 -171.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -114.88 0.73 13.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.953 -0.299 . . . . 5.2800000000000002 111.679 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -123.83 -45.97 2.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 8.1500000000000004 111.691 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -87.76 3.34 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 6.0999999999999996 110.522 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -91.82 -0.63 57.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.518 0.675 . . . . 6.1100000000000003 109.595 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 137.61 32.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.824 -0.626 . . . . 4.4199999999999999 110.086 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt 65.92 17.82 10.92 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.805 0.691 . . . . 6.3700000000000001 110.894 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 t -83.28 145.48 29.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 3.0 110.423 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.16 128.2 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 5.25 110.2 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.73 -38.02 11.0 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 120.738 0.304 . . . . 4.6699999999999999 110.392 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.26 127.69 5.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.193 -0.458 . . . . 5.9299999999999997 111.037 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.11 -37.59 45.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.104 -0.702 . . . . 6.25 109.104 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.247 -0.888 . . . . 9.5399999999999991 108.931 175.355 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.25 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.0099999999999998 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 3.7999999999999998 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 1.005 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 21.0 t-20 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.04 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.0699999999999998 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 1.005 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 6.9299999999999997 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.813 HG21 ' HB3' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.3900000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 3.77 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t -101.76 -57.75 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.54 110.082 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.813 ' HB3' HG21 ' A' ' 10' ' ' THR . 82.4 t80 -58.69 -43.29 89.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.492 -0.777 . . . . 7.0599999999999996 111.625 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.645 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 51.1 tp -77.97 -24.56 48.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.366 . . . . 5.2800000000000002 111.538 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -85.07 -37.1 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.909 -0.316 . . . . 8.1500000000000004 110.742 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.94 -65.31 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 6.0999999999999996 109.455 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 72.29 -42.76 0.54 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.023 0.929 . . . . 6.1100000000000003 111.753 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.56 144.29 25.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.111 -0.7 . . . . 4.4199999999999999 109.111 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt 59.47 22.0 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.558 0.536 . . . . 6.3700000000000001 111.156 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.7 m -84.79 -9.94 57.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.915 -0.584 . . . . 3.0 110.05 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt 72.46 157.36 0.18 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.297 -0.865 . . . . 5.25 111.789 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 0.39 49.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.396 0.617 . . . . 4.6699999999999999 110.051 176.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -148.8 133.98 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.473 -0.785 . . . . 5.9299999999999997 109.834 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -50.08 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.042 -0.526 . . . . 6.25 110.243 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.596 -0.729 . . . . 9.5399999999999991 109.36 175.392 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.25 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.584 ' H ' HG21 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.0099999999999998 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 3.7999999999999998 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.04 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.0699999999999998 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 6.9299999999999997 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.3900000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 3.77 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -140.66 -54.83 0.51 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.54 110.635 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.08 -65.41 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.415 -0.812 . . . . 7.0599999999999996 112.357 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.35 -19.4 33.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.046 0.45 . . . . 5.2800000000000002 111.181 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -145.03 102.54 3.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.361 -0.382 . . . . 8.1500000000000004 110.188 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.32 103.15 1.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.743 -0.465 . . . . 6.0999999999999996 109.743 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -145.26 -28.86 0.45 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.033 0.444 . . . . 6.1100000000000003 110.978 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.86 -55.8 7.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.203 0.525 . . . . 4.4199999999999999 111.125 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -97.41 25.0 5.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.785 -0.643 . . . . 6.3700000000000001 110.263 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 3.0 110.465 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.52 -81.81 0.38 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 5.25 111.118 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 -42.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 4.6699999999999999 110.781 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -147.43 151.12 35.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.172 -0.467 . . . . 5.9299999999999997 110.25 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.97 -32.26 11.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.631 -0.713 . . . . 6.25 109.971 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.46 -0.791 . . . . 9.5399999999999991 109.139 175.128 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.595 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.25 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.0099999999999998 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 3.7999999999999998 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.04 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.595 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.0699999999999998 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 6.9299999999999997 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.3900000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.976 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 t -56.64 -44.56 81.42 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.54 109.969 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -68.72 -11.88 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.313 -0.858 . . . . 7.0599999999999996 110.652 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.8 mt -104.08 -38.63 6.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 5.2800000000000002 111.73 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.46 -45.67 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.698 -0.401 . . . . 8.1500000000000004 111.973 -173.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.976 HD23 ' HA ' ' A' ' 12' ' ' SER . 3.7 mm? -72.39 -22.47 61.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.921 0.391 . . . . 6.0999999999999996 110.69 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 67.3 t90 -69.16 -21.84 63.97 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.77 -0.65 . . . . 6.1100000000000003 110.94 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -37.13 63.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.062 -0.517 . . . . 4.4199999999999999 111.698 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 tp -134.76 38.84 3.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.003 -0.74 . . . . 6.3700000000000001 109.003 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 17' ' ' TRP . 13.0 t -83.95 -169.5 2.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.83 -0.623 . . . . 3.0 110.445 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.2 mp -80.0 139.6 36.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.863 -0.608 . . . . 5.25 110.441 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.38 4.22 36.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 4.6699999999999999 110.525 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -141.48 138.64 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.508 -0.769 . . . . 5.9299999999999997 110.73 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.48 -27.77 21.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.343 0.592 . . . . 6.25 109.583 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.003 -0.999 . . . . 9.5399999999999991 109.16 175.266 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.25 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.0099999999999998 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 3.7999999999999998 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.04 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.0699999999999998 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 6.9299999999999997 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.3900000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 3.77 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 1.5 t -49.87 -41.2 44.95 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.54 113.185 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.98 -36.63 65.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 7.0599999999999996 112.15 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.13 -43.17 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 5.2800000000000002 111.051 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' SER . 45.0 mtm180 -108.31 130.8 55.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.892 -0.594 . . . . 8.1500000000000004 109.841 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.4 85.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.123 0.487 . . . . 6.0999999999999996 111.441 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -143.51 103.91 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.767 -0.651 . . . . 6.1100000000000003 110.898 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.16 -67.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.377 -0.829 . . . . 4.4199999999999999 109.925 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -97.96 19.98 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.396 0.617 . . . . 6.3700000000000001 109.534 176.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -70.24 104.62 2.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.165 -0.925 . . . . 3.0 110.988 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.18 -39.84 94.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 5.25 110.914 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.89 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.408 -0.815 . . . . 4.6699999999999999 109.348 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -138.92 140.47 38.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.06 -0.973 . . . . 5.9299999999999997 109.512 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -39.23 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.394 0.616 . . . . 6.25 109.342 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.82 -1.086 . . . . 9.5399999999999991 108.806 174.527 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.25 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.0099999999999998 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 3.7999999999999998 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.587 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.04 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.0699999999999998 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 6.9299999999999997 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.3900000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 3.77 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -53.49 -49.17 68.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.54 111.129 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 83.5 t80 -57.92 -45.47 86.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.651 . . . . 7.0599999999999996 111.357 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.89 -30.9 45.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.502 -0.317 . . . . 5.2800000000000002 111.265 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -72.52 -37.08 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.118 0.485 . . . . 8.1500000000000004 111.042 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.79 -11.75 38.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 6.0999999999999996 111.779 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 11.9 t90 -72.26 80.66 1.0 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.492 0.663 . . . . 6.1100000000000003 110.453 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.06 -57.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.157 -0.928 . . . . 4.4199999999999999 109.831 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.51 4.44 39.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.93 -0.577 . . . . 6.3700000000000001 110.374 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -63.68 -44.0 95.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.708 -0.678 . . . . 3.0 110.33 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt 57.33 -92.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.241 -0.89 . . . . 5.25 111.711 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.37 -37.89 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 4.6699999999999999 110.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' C ' ' H ' ' A' ' 25' ' ' GLN . 7.1 p80 -155.02 -27.21 0.11 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 5.9299999999999997 110.501 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.24 -20.66 0.28 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.606 0.762 . . . . 6.25 111.911 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 23' ' ' HIS . 25.0 tt0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 117.8 -1.095 . . . . 9.5399999999999991 109.299 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.25 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.0099999999999998 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 3.7999999999999998 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.04 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG22 HD22 ' A' ' 14' ' ' LEU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.0699999999999998 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 6.9299999999999997 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.3900000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 3.77 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -58.76 -57.51 12.71 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.54 111.185 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' H ' HG22 ' A' ' 10' ' ' THR . 63.2 t80 -67.04 87.38 0.15 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.685 0.755 . . . . 7.0599999999999996 109.52 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD22 HG22 ' A' ' 7' ' ' VAL . 58.3 tp 175.71 -40.07 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.233 -1.349 . . . . 5.2800000000000002 107.537 -171.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 15' ' ' ARG . 21.7 ttt180 -160.44 -40.12 0.05 OUTLIER 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.514 -0.766 . . . . 8.1500000000000004 112.003 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.43 -4.39 58.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.716 -0.394 . . . . 6.0999999999999996 111.942 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -91.77 -27.42 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.948 0.404 . . . . 6.1100000000000003 111.058 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.32 143.04 50.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.104 -0.332 . . . . 4.4199999999999999 110.104 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt 70.7 11.86 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.584 0.553 . . . . 6.3700000000000001 110.622 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 t -66.16 -66.64 0.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.283 -0.636 . . . . 3.0 109.283 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 tp -165.95 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 5.25 109.68 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.07 25.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 4.6699999999999999 109.855 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -136.21 130.03 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 5.9299999999999997 111.303 -174.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.94 28.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.048 -0.723 . . . . 6.25 109.048 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.44 -0.931 0 CA-C-N 115.26 -0.882 . . . . 9.5399999999999991 109.002 176.643 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.529 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.25 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.0099999999999998 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 3.7999999999999998 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.673 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.04 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 14' ' ' LEU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.0699999999999998 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 6.9299999999999997 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.3900000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 3.77 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -57.83 -40.75 80.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.54 110.995 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' TRP . 83.3 t80 -59.22 -21.36 59.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.817 -1.083 . . . . 7.0599999999999996 113.171 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt? -114.51 14.87 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.835 -0.541 . . . . 5.2800000000000002 111.451 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -141.58 -71.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.92 -0.312 . . . . 8.1500000000000004 111.522 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.68 -25.19 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 6.0999999999999996 110.345 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 64.4 t90 -59.03 -32.29 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 6.1100000000000003 111.032 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.22 -25.86 42.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 4.4199999999999999 110.283 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -102.57 13.05 35.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 6.3700000000000001 110.044 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 151.01 47.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 3.0 110.07 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 tp -71.57 1.94 5.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.249 0.462 . . . . 5.25 112.249 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -9.36 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.238 0.542 . . . . 4.6699999999999999 109.891 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -66.43 -25.92 66.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.344 -0.844 . . . . 5.9299999999999997 111.015 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.46 77.21 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.352 -0.385 . . . . 6.25 110.473 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.233 -0.889 . . . . 9.5399999999999991 110.144 176.803 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.25 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.0099999999999998 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.665 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 3.7999999999999998 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.04 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.0699999999999998 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 6.9299999999999997 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.3900000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 3.77 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m -135.08 -49.07 0.74 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.54 110.61 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -57.92 -37.2 73.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.299 -0.864 . . . . 7.0599999999999996 112.544 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.22 -21.91 66.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.973 0.416 . . . . 5.2800000000000002 111.294 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 17' ' ' TRP . 43.3 ttp180 -113.83 -6.02 13.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 8.1500000000000004 110.543 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp 61.09 25.22 15.26 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.605 -0.725 . . . . 6.0999999999999996 110.886 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' HB3' ' HE ' ' A' ' 15' ' ' ARG . 49.6 t-105 -104.3 103.42 13.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 6.1100000000000003 110.133 -175.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.17 86.55 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 4.4199999999999999 110.311 176.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 32.9 tp 62.11 28.92 17.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.541 0.686 . . . . 6.3700000000000001 110.197 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 t -87.68 156.43 19.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.822 -0.627 . . . . 3.0 110.288 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.31 -153.62 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.607 -0.516 . . . . 5.25 109.607 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.24 -3.6 58.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.436 0.636 . . . . 4.6699999999999999 109.899 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -130.91 142.43 50.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.167 -0.924 . . . . 5.9299999999999997 109.59 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.43 -23.93 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 6.25 109.731 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 C--O 1.245 0.818 0 CA-C-N 115.4 -0.818 . . . . 9.5399999999999991 109.083 175.518 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.25 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.0099999999999998 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 3.7999999999999998 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.553 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.04 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.926 ' HA ' HD21 ' A' ' 14' ' ' LEU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.0699999999999998 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 6.9299999999999997 110.79 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.3900000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 3.77 112.553 176.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -53.14 -40.41 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.54 111.372 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -64.25 -14.68 57.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.235 -0.893 . . . . 7.0599999999999996 111.689 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 7' ' ' VAL . 3.2 mm? -97.23 13.22 30.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.601 -0.272 . . . . 5.2800000000000002 110.316 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 69.03 21.02 7.55 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.764 0.665 . . . . 8.1500000000000004 110.021 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HB2' ' A' ' 20' ' ' SER . 35.8 tp -78.59 1.74 21.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.674 -0.694 . . . . 6.0999999999999996 110.767 -176.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -91.84 -49.43 6.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 6.1100000000000003 110.573 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.93 -42.77 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.487 -0.324 . . . . 4.4199999999999999 111.729 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.29 27.23 1.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.987 0.422 . . . . 6.3700000000000001 110.149 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 8.5 t -84.88 174.75 9.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 3.0 110.413 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.61 147.69 44.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 5.25 109.953 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.29 1.43 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 4.6699999999999999 110.277 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -167.88 135.52 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.779 -0.646 . . . . 5.9299999999999997 110.082 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.59 -37.46 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.499 . . . . 6.25 110.72 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.545 -0.74 . . . . 9.5399999999999991 109.871 179.652 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.25 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.0099999999999998 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 3.7999999999999998 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.633 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.04 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 14' ' ' LEU . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.0699999999999998 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 6.9299999999999997 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.3900000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 3.77 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -53.27 -40.27 64.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.54 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -99.38 -24.98 14.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.048 -0.978 . . . . 7.0599999999999996 111.108 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 7' ' ' VAL . 4.5 mm? -90.04 -7.84 52.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.506 -0.316 . . . . 5.2800000000000002 111.412 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -125.81 169.1 12.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.505 -0.316 . . . . 8.1500000000000004 110.497 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.27 72.39 4.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 6.0999999999999996 109.949 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -112.25 -23.21 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 6.1100000000000003 110.29 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.92 127.02 35.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.396 . . . . 4.4199999999999999 110.157 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.55 10.36 6.59 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.234 0.54 . . . . 6.3700000000000001 110.641 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -107.46 122.23 46.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.831 -0.622 . . . . 3.0 110.921 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -91.94 -50.15 5.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.419 -0.355 . . . . 5.25 110.338 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.75 38.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 4.6699999999999999 112.018 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.56 118.61 33.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.212 -0.595 . . . . 5.9299999999999997 110.322 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.375 0.607 . . . . 6.25 109.477 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.281 -0.866 . . . . 9.5399999999999991 109.168 174.274 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.25 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.0099999999999998 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 3.7999999999999998 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.04 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.0699999999999998 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.519 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 6.9299999999999997 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.3900000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 3.77 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -66.86 -42.29 85.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.54 110.309 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -59.59 -30.17 68.48 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.707 -0.679 . . . . 7.0599999999999996 111.589 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.41 3.05 55.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 5.2800000000000002 110.446 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 19' ' ' LEU . 1.0 OUTLIER 61.55 14.73 6.17 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.608 -0.724 . . . . 8.1500000000000004 112.251 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.93 8.98 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 6.0999999999999996 109.922 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -131.57 -25.96 2.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.164 -0.926 . . . . 6.1100000000000003 109.815 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.769 -0.65 . . . . 4.4199999999999999 111.293 -174.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD23 ' HG2' ' A' ' 15' ' ' ARG . 3.4 mm? -100.08 16.97 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 6.3700000000000001 109.928 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -111.34 -172.04 1.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.488 -0.778 . . . . 3.0 110.426 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.7 130.39 49.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 5.25 111.585 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.38 -26.44 14.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 4.6699999999999999 109.59 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -166.34 139.53 4.01 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.387 -0.824 . . . . 5.9299999999999997 109.921 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 -30.0 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 6.25 110.719 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.263 -0.875 . . . . 9.5399999999999991 109.771 177.937 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.25 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.0099999999999998 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 3.7999999999999998 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.04 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.0699999999999998 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 6.9299999999999997 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.507 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.3900000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 3.77 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.54 -40.14 74.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.54 110.625 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.4 -28.66 68.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.304 -0.862 . . . . 7.0599999999999996 111.332 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.92 11.07 38.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 5.2800000000000002 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 63.08 27.86 15.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.541 -0.754 . . . . 8.1500000000000004 111.026 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.56 11.65 37.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.268 0.556 . . . . 6.0999999999999996 110.17 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -137.79 -61.01 0.63 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.553 -0.749 . . . . 6.1100000000000003 109.495 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.92 135.66 33.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.044 -0.526 . . . . 4.4199999999999999 109.672 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt 63.8 28.94 14.82 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.333 0.395 . . . . 6.3700000000000001 110.815 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.9 t -90.22 -4.68 57.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 3.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 66.86 -174.46 0.19 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.147 0.499 . . . . 5.25 111.446 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.08 -55.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.745 -0.661 . . . . 4.6699999999999999 109.451 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -75.86 143.22 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.478 -0.783 . . . . 5.9299999999999997 110.116 174.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.32 -26.59 28.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.199 0.524 . . . . 6.25 109.774 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.568 -0.742 . . . . 9.5399999999999991 109.856 177.097 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.25 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.0099999999999998 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 3.7999999999999998 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.04 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' A' ' 6' ' ' CYS . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.0699999999999998 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 6.9299999999999997 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.3900000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 3.77 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.54 111.174 -175.713 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.25 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.0099999999999998 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 3.7999999999999998 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.04 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.0699999999999998 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 6.9299999999999997 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.3900000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 3.77 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.54 112.222 172.223 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.25 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.0099999999999998 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 3.7999999999999998 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' THR . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.04 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.0699999999999998 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 6.9299999999999997 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.3900000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 3.77 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.54 112.306 -174.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.574 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.25 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.0099999999999998 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.793 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 3.7999999999999998 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.793 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.04 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.574 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.0699999999999998 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 6.9299999999999997 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.3900000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 3.77 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.54 112.035 177.342 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.25 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.0099999999999998 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 3.7999999999999998 107.697 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.04 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.0699999999999998 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 6.9299999999999997 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.3900000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 3.77 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.54 110.362 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.482 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.25 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.0099999999999998 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.537 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.04 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.0699999999999998 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 6.9299999999999997 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.3900000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 3.77 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.54 110.005 -175.69 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.857 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.25 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.0099999999999998 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.857 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 3.7999999999999998 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.721 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 2.8 t30 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.04 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.0699999999999998 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 1' ' ' GLU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 6.9299999999999997 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.3900000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 3.77 112.696 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.54 110.621 -177.231 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.848 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.25 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.0099999999999998 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 3.7999999999999998 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.737 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.04 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.0699999999999998 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 6.9299999999999997 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.3900000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 3.77 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.54 112.476 -172.047 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.25 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.0099999999999998 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 3.7999999999999998 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 1.005 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 1.9 t30 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.04 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.0699999999999998 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 1.005 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 6.9299999999999997 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.3900000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 3.77 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.54 110.082 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.25 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.584 ' H ' HG21 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.0099999999999998 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 3.7999999999999998 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.04 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.0699999999999998 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 6.9299999999999997 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.3900000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 3.77 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.54 110.635 178.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.595 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.25 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.0099999999999998 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 3.7999999999999998 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.04 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.595 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.0699999999999998 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 6.9299999999999997 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.3900000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.54 109.969 174.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.25 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.0099999999999998 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 3.7999999999999998 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.04 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.0699999999999998 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 6.9299999999999997 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.3900000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 3.77 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.54 113.185 -170.76 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.25 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.0099999999999998 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 3.7999999999999998 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.587 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.04 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.0699999999999998 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 6.9299999999999997 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.3900000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 3.77 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.54 111.129 -178.552 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.25 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.0099999999999998 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 3.7999999999999998 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.04 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.469 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.0699999999999998 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 6.9299999999999997 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.3900000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 3.77 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.54 111.185 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.529 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.25 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.0099999999999998 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 3.7999999999999998 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.673 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.04 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.0699999999999998 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 6.9299999999999997 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.3900000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 3.77 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.54 110.995 -178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.25 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.0099999999999998 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.665 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 3.7999999999999998 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.04 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.0699999999999998 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 6.9299999999999997 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.3900000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 3.77 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.54 110.61 -179.565 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.25 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.0099999999999998 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.553 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 3.7999999999999998 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.553 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.04 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.663 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.0699999999999998 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 6.9299999999999997 110.79 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.3900000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 3.77 112.553 176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.54 111.372 -177.618 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.25 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.0099999999999998 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 3.7999999999999998 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.633 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.04 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.476 HG23 ' SG ' ' A' ' 6' ' ' CYS . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.0699999999999998 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 6.9299999999999997 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.3900000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 3.77 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.54 110.867 175.287 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.25 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.0099999999999998 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 3.7999999999999998 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.04 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.0699999999999998 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.519 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 6.9299999999999997 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.3900000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 3.77 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.54 110.309 179.378 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.25 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.0099999999999998 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.655 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 3.7999999999999998 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.04 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.0699999999999998 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 6.9299999999999997 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.507 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.3900000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 3.77 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.54 110.625 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.1 pm0 . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.393 0.616 . . . . 4.25 110.599 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -100.39 -35.41 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.61 . . . . 8.0099999999999998 110.542 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 5' ' ' ASN . 0.5 OUTLIER -121.89 18.06 10.98 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.929 -0.309 . . . . 4.7300000000000004 111.148 -178.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt 63.21 -5.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.451 0.537 . . . . 3.7999999999999998 112.451 -176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 3' ' ' CYS . 3.4 t30 -145.41 -54.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.236 -0.29 . . . . 5.3899999999999997 111.349 -176.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.9 p -46.08 -31.12 2.16 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.539 0.685 . . . . 4.04 111.228 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.648 HG13 HD22 ' A' ' 14' ' ' LEU . 45.4 t -104.93 -46.82 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.127 -0.942 . . . . 3.0699999999999998 110.778 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 m -66.44 -48.12 70.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.541 -0.754 . . . . 4.0499999999999998 112.919 -173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -103.2 -27.5 12.48 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.908 -0.317 . . . . 6.9299999999999997 111.545 -173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 24.9 m -77.11 -38.46 52.14 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.309 -0.556 . . . . 3.3900000000000001 109.772 -177.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.8 -58.74 0.31 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 114.856 -1.066 . . . . 3.77 113.164 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -53.11 -44.66 67.84 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 123.212 0.605 . . . . 3.54 111.174 -175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.06 -19.96 55.6 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.166 -0.925 . . . . 7.0599999999999996 112.081 -174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD22 HG13 ' A' ' 7' ' ' VAL . 56.3 tp -90.4 -23.22 21.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.889 0.376 . . . . 5.2800000000000002 111.071 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -110.65 -46.77 3.33 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.158 0.429 . . . . 8.1500000000000004 112.158 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD23 ' HB1' ' A' ' 24' ' ' ALA . 18.0 tp -71.94 -13.84 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.352 0.596 . . . . 6.0999999999999996 110.896 -174.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -71.01 -4.01 22.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.408 -0.815 . . . . 6.1100000000000003 110.512 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.72 2.14 21.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.476 -0.329 . . . . 4.4199999999999999 111.642 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -149.59 31.08 0.73 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.073 0.464 . . . . 6.3700000000000001 110.711 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.9 t -90.04 125.59 35.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.807 -0.442 . . . . 3.0 109.807 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.2 mt -90.95 -45.55 8.68 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.904 0.383 . . . . 5.25 110.225 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.04 -35.08 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.962 -0.563 . . . . 4.6699999999999999 111.642 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -157.47 118.19 3.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.931 0.396 . . . . 5.9299999999999997 110.984 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -57.1 -43.04 81.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.53 -0.759 . . . . 6.25 110.393 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.439 -0.801 . . . . 9.5399999999999991 109.091 177.108 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.436 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.796 -0.446 . . . . 4.25 109.796 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -71.22 -55.78 7.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.873 -0.603 . . . . 8.0099999999999998 111.32 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 14.6 25.91 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 4.7300000000000004 111.084 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 61.63 8.14 2.18 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.015 0.436 . . . . 3.7999999999999998 111.61 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -151.69 -51.58 0.12 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 116.315 -0.402 . . . . 5.3899999999999997 110.783 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.8 p -55.73 -25.41 40.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.49 0.662 . . . . 4.04 109.832 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 48.8 t -104.93 -51.84 8.04 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 115.05 -0.977 . . . . 3.0699999999999998 111.218 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -33.12 75.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.211 0.529 . . . . 4.0499999999999998 112.094 -173.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -110.0 2.72 19.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.927 -0.579 . . . . 6.9299999999999997 110.903 -173.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.1 m -148.03 -64.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.938 -0.477 . . . . 3.3900000000000001 111.125 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.79 -45.85 0.62 Allowed 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.877 0.736 . . . . 3.77 111.868 -177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.9 m -49.55 -35.12 19.35 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.765 -0.652 . . . . 3.54 112.222 172.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 51.8 t80 -58.13 -32.79 68.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.648 -0.705 . . . . 7.0599999999999996 111.22 -178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -102.01 -9.8 20.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 5.2800000000000002 111.072 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -82.58 -33.67 27.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 8.1500000000000004 109.835 177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 20' ' ' SER . 38.0 tp -90.51 -20.46 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.775 -0.648 . . . . 6.0999999999999996 110.137 177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 42.9 t-105 -67.58 94.46 0.42 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.957 -0.565 . . . . 6.1100000000000003 110.487 179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.97 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.647 -0.706 . . . . 4.4199999999999999 110.017 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.4 mt -130.59 27.19 5.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.562 -0.745 . . . . 6.3700000000000001 109.492 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 16' ' ' LEU . 38.4 t -88.25 135.57 33.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.506 -0.77 . . . . 3.0 110.53 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 tp -79.65 84.39 5.5 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.836 -0.802 . . . . 5.25 108.836 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.19 -5.82 43.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.638 -0.71 . . . . 4.6699999999999999 110.748 -175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.21 124.67 9.61 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.551 -0.75 . . . . 5.9299999999999997 110.806 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.12 -22.18 49.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.173 -0.677 . . . . 6.25 109.173 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-N 114.871 -1.059 . . . . 9.5399999999999991 108.729 175.298 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.463 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.9 tp10 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 121.152 0.501 . . . . 4.25 110.498 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -120.12 -20.54 7.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.664 -0.698 . . . . 8.0099999999999998 110.623 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 19.9 t -109.12 3.72 22.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.824 0.345 . . . . 4.7300000000000004 111.355 -172.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.8 mt 60.27 26.31 15.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.15 0.58 . . . . 3.7999999999999998 112.13 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t30 170.38 -49.52 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.154 -0.475 . . . . 5.3899999999999997 110.486 -175.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' O ' HD23 ' A' ' 14' ' ' LEU . 24.2 m -66.28 -18.49 65.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.609 -0.723 . . . . 4.04 111.627 -167.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' ALA . 77.5 t -104.37 -43.08 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 115.638 -0.71 . . . . 3.0699999999999998 111.733 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -82.53 -61.83 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.851 0.357 . . . . 4.0499999999999998 111.785 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -68.65 -40.77 80.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 6.9299999999999997 111.37 -176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.458 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.4 m -81.04 -50.3 9.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 109.234 -0.654 . . . . 3.3900000000000001 109.234 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' O ' ' A' ' 7' ' ' VAL . . . 62.94 -66.08 0.09 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.545 -1.207 . . . . 3.77 113.268 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . 1.6 t -50.33 -48.17 55.53 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 123.818 0.847 . . . . 3.54 112.306 -174.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -65.13 -23.69 67.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 7.0599999999999996 111.537 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 6' ' ' CYS . 4.2 mm? -111.13 -43.82 3.68 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.029 0.381 . . . . 5.2800000000000002 112.029 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -91.72 -38.56 12.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.62 0.248 . . . . 8.1500000000000004 111.382 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' SER . 92.0 mt -95.99 6.2 49.42 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.749 -0.38 . . . . 6.0999999999999996 111.126 -175.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -74.08 -15.06 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.834 0.826 . . . . 6.1100000000000003 109.437 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.77 145.84 27.24 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.994 -1.003 . . . . 4.4199999999999999 108.949 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.8 mt 69.75 2.12 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.89 0.744 . . . . 6.3700000000000001 110.422 -174.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -81.44 68.15 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.795 -0.817 . . . . 3.0 108.795 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.14 -44.17 96.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.818 -0.628 . . . . 5.25 110.06 -175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.43 -38.23 0.18 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.675 -0.41 . . . . 4.6699999999999999 111.499 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.53 156.42 22.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.262 -0.575 . . . . 5.9299999999999997 111.467 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.15 -17.54 14.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.481 -0.782 . . . . 6.25 109.662 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.07 -0.967 . . . . 9.5399999999999991 109.755 178.294 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.574 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 121.03 0.443 . . . . 4.25 111.011 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -75.53 -36.39 60.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.293 -0.867 . . . . 8.0099999999999998 110.237 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.793 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 12.1 m -103.63 -14.76 16.02 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.403 -0.519 . . . . 4.7300000000000004 111.891 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.35 28.75 13.73 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.855 -0.794 . . . . 3.7999999999999998 108.855 -173.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -176.4 -51.0 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.23 -0.895 . . . . 5.3899999999999997 111.38 -175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.793 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 13.6 p -67.67 -19.46 65.19 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.531 0.682 . . . . 4.04 110.387 -167.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 14' ' ' LEU . 4.6 t -103.68 -49.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.157 0 CA-C-N 114.973 -1.012 . . . . 3.0699999999999998 110.406 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.0 p -81.97 -58.35 3.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.4 -0.818 . . . . 4.0499999999999998 112.741 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -74.2 -24.87 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.38 -0.373 . . . . 6.9299999999999997 111.677 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.2 m -89.38 -49.76 6.51 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.304 -0.628 . . . . 3.3900000000000001 109.304 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.97 -46.86 0.52 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.894 -1.048 . . . . 3.77 112.962 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.3 m -50.64 -41.81 55.6 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 116.002 -0.545 . . . . 3.54 112.035 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -64.26 -30.5 71.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 7.0599999999999996 111.516 -177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 7' ' ' VAL . 48.6 tp -94.69 -27.08 16.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.733 0.302 . . . . 5.2800000000000002 111.655 -176.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -86.98 -49.43 7.35 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.873 0.323 . . . . 8.1500000000000004 111.873 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.57 -70.19 0.67 Allowed 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.895 -0.322 . . . . 6.0999999999999996 110.275 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 48.3 t90 53.33 85.98 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.912 0.758 . . . . 6.1100000000000003 111.468 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 112.33 7.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 4.4199999999999999 109.877 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.9 mt 63.2 26.51 15.26 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.687 0.617 . . . . 6.3700000000000001 110.718 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -99.73 -179.54 4.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 3.0 110.368 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -152.03 -58.15 0.15 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 5.25 109.436 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.43 -42.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 4.6699999999999999 110.815 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.6 p-80 -141.66 126.79 18.46 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.084 -0.507 . . . . 5.9299999999999997 110.106 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.52 1.16 56.29 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.086 0.47 . . . . 6.25 110.681 177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 C--O 1.244 0.804 0 CA-C-N 115.532 -0.758 . . . . 9.5399999999999991 109.741 179.485 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 11.2 tp10 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.992 -0.373 . . . . 4.25 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -99.01 -31.12 11.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.037 -0.529 . . . . 8.0099999999999998 110.071 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 8.3 m -114.32 -85.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.128 -0.487 . . . . 4.7300000000000004 111.152 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 29.2 tp 177.01 25.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.697 -1.223 . . . . 3.7999999999999998 107.697 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.5 t30 171.42 -46.61 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 114.923 -1.035 . . . . 5.3899999999999997 110.061 -167.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.3 p -61.75 -20.0 63.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.775 -0.648 . . . . 4.04 111.52 -169.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 25.8 t -113.67 -49.45 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 CA-C-N 116.183 -0.462 . . . . 3.0699999999999998 112.074 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -80.18 -26.61 39.2 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.72 0.637 . . . . 4.0499999999999998 112.72 -175.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -108.82 13.26 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.231 -0.293 . . . . 6.9299999999999997 111.542 -174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.708 HG21 ' HB3' ' A' ' 13' ' ' TYR . 5.0 t -94.45 -47.38 6.59 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.313 -0.555 . . . . 3.3900000000000001 110.987 -178.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.87 -47.61 0.46 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.475 0.71 . . . . 3.77 111.61 -174.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 20.5 t -57.95 -55.08 39.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.875 0.47 . . . . 3.54 110.362 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' HB3' HG21 ' A' ' 10' ' ' THR . 90.8 t80 -59.39 -32.64 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.708 -0.678 . . . . 7.0599999999999996 111.065 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.16 -39.8 82.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 5.2800000000000002 110.457 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -65.7 -43.74 88.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.117 -0.492 . . . . 8.1500000000000004 110.183 175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 12' ' ' SER . 88.5 mt -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 6.0999999999999996 110.682 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.48 -23.03 64.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.805 -0.634 . . . . 6.1100000000000003 111.151 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.29 -30.76 54.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.355 0.598 . . . . 4.4199999999999999 110.191 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.42 8.21 42.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.297 -0.865 . . . . 6.3700000000000001 109.348 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -94.11 5.74 50.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.624 -0.716 . . . . 3.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.5 mt 68.01 176.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.775 0.672 . . . . 5.25 111.128 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -138.11 -40.67 0.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 4.6699999999999999 111.383 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -124.69 -177.31 3.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.26 . . . . 5.9299999999999997 111.026 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 67.03 31.99 6.57 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.15 0.58 . . . . 6.25 110.643 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.219 -0.896 . . . . 9.5399999999999991 110.279 178.525 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.482 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 121.381 0.61 . . . . 4.25 111.422 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -110.54 -23.51 11.08 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.336 -0.847 . . . . 8.0099999999999998 109.722 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 9.2 t -107.64 -7.91 16.3 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.789 0.328 . . . . 4.7300000000000004 110.74 -176.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.22 30.44 15.85 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 110.299 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t30 170.91 -47.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.564 -0.744 . . . . 5.3899999999999997 110.845 -174.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 19.3 m -75.38 -0.64 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 4.04 111.814 -168.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' HB ' ' CD ' ' A' ' 1' ' ' GLU . 32.4 t -121.38 -47.87 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 CA-C-N 116.071 -0.513 . . . . 3.0699999999999998 110.99 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -83.37 -44.35 14.94 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.113 -0.494 . . . . 4.0499999999999998 111.338 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -90.07 10.7 23.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 6.9299999999999997 111.775 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 7' ' ' VAL . 5.0 t -88.11 -46.45 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.66 -0.416 . . . . 3.3900000000000001 110.637 -176.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.88 2.39 0.38 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.824 -0.626 . . . . 3.77 112.453 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -123.88 -47.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.085 0.469 . . . . 3.54 110.005 -175.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -74.15 -25.08 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.878 -0.601 . . . . 7.0599999999999996 110.189 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.07 -15.45 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 5.2800000000000002 111.582 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -129.94 126.99 39.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.749 0.309 . . . . 8.1500000000000004 111.247 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.3 tp 74.27 -63.58 0.42 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.267 -0.879 . . . . 6.0999999999999996 111.149 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.3 t90 63.17 18.27 10.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.543 0.687 . . . . 6.1100000000000003 111.027 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.24 -51.53 5.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 4.4199999999999999 111.426 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.4 tp -104.4 5.74 34.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.346 0.593 . . . . 6.3700000000000001 109.806 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.2 t -76.1 123.98 26.68 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.447 -0.797 . . . . 3.0 109.85 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.07 99.17 3.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 5.25 109.996 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.27 -42.67 9.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.305 0.574 . . . . 4.6699999999999999 109.858 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -90.97 127.81 36.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.689 -0.687 . . . . 5.9299999999999997 110.401 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.77 -9.78 42.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.84 -0.618 . . . . 6.25 110.164 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.243 0.733 0 CA-C-N 115.211 -0.904 . . . . 9.5399999999999991 109.017 179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.857 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 9.9 pt-20 . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.004 0.43 . . . . 4.25 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -51.12 -51.63 51.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.419 -0.809 . . . . 8.0099999999999998 112.073 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -96.55 14.06 25.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.847 -0.341 . . . . 4.7300000000000004 111.111 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.857 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 91.0 mt 56.04 34.37 23.62 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.773 0.321 . . . . 3.7999999999999998 111.083 -176.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.721 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 2.8 t30 176.39 -55.94 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.872 -0.604 . . . . 5.3899999999999997 110.379 -176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.2 p -60.87 -16.53 42.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.439 0.637 . . . . 4.04 110.621 -170.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 6' ' ' CYS . 36.1 t -104.76 -60.48 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 CA-C-N 115.28 -0.873 . . . . 3.0699999999999998 111.0 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . 22.8 t -92.9 -42.12 9.67 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.856 -0.737 . . . . 4.0499999999999998 112.525 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 50.8 m80 -68.96 -21.89 64.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.833 0.349 . . . . 6.9299999999999997 111.653 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -83.03 -24.23 32.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.156 0.503 . . . . 3.3900000000000001 109.741 177.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 14' ' ' LEU . . . 69.8 -65.91 0.29 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.034 -0.985 . . . . 3.77 112.696 174.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.81 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 1.5 t -57.95 -36.6 72.78 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.093 0.949 . . . . 3.54 110.621 -177.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.44 -10.69 60.17 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.991 -1.459 . . . . 7.0599999999999996 111.374 -173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 1.6 pp -106.43 -30.52 9.05 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 122.23 -0.294 . . . . 5.2800000000000002 110.478 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -167.61 169.94 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.086 -0.339 . . . . 8.1500000000000004 110.086 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 69.0 mt -67.3 90.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 6.0999999999999996 110.175 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -160.54 134.78 7.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.431 -0.35 . . . . 6.1100000000000003 110.78 -175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 70.1 -78.34 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.508 -0.769 . . . . 4.4199999999999999 111.695 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 90.5 mt -89.49 47.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.803 0.335 . . . . 6.3700000000000001 111.292 -177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.0 t -78.82 161.39 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.928 -0.397 . . . . 3.0 109.928 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -95.19 151.29 19.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.709 0.29 . . . . 5.25 110.593 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.76 -13.88 18.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.03 0.443 . . . . 4.6699999999999999 111.184 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -151.67 150.14 29.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.123 -0.49 . . . . 5.9299999999999997 110.246 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.88 -31.88 14.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.046 -0.525 . . . . 6.25 110.587 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.617 -0.706 . . . . 9.5399999999999991 109.564 177.41 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.848 ' HB3' ' HB ' ' A' ' 7' ' ' VAL . 19.9 pt-20 . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 121.154 0.502 . . . . 4.25 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -104.65 -16.25 15.04 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.45 -0.795 . . . . 8.0099999999999998 110.255 176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.737 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 1.8 m -90.79 -12.32 36.78 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.467 0.543 . . . . 4.7300000000000004 112.467 -173.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.2 mp 55.68 35.3 24.99 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.222 0.534 . . . . 3.7999999999999998 109.73 -174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -178.78 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.462 -0.79 . . . . 5.3899999999999997 111.692 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.737 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 31.2 p -65.31 -29.51 70.26 Favored 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 120.227 -0.589 . . . . 4.04 110.765 -167.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 1' ' ' GLU . 73.8 t -100.1 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.018 -0.537 . . . . 3.0699999999999998 111.196 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -72.93 -50.49 23.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.28 0.474 . . . . 4.0499999999999998 112.28 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -87.2 -35.23 18.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.419 -0.355 . . . . 6.9299999999999997 111.024 -172.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 7.5 m -95.22 -60.79 1.6 Allowed 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.821 -0.437 . . . . 3.3900000000000001 109.821 -177.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.79 -63.8 0.21 Allowed 'General case' 0 N--CA 1.464 0.23 0 O-C-N 124.238 0.961 . . . . 3.77 112.456 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -45.29 -56.58 4.74 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.622 0.769 . . . . 3.54 112.476 -172.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -57.62 -30.17 65.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 7.0599999999999996 113.012 -171.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -114.88 0.73 13.84 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.953 -0.299 . . . . 5.2800000000000002 111.679 -176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -123.83 -45.97 2.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.826 0.346 . . . . 8.1500000000000004 111.691 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -87.76 3.34 48.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 6.0999999999999996 110.522 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -91.82 -0.63 57.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.518 0.675 . . . . 6.1100000000000003 109.595 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 137.61 32.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.824 -0.626 . . . . 4.4199999999999999 110.086 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.3 mt 65.92 17.82 10.92 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.805 0.691 . . . . 6.3700000000000001 110.894 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 t -83.28 145.48 29.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.996 -0.547 . . . . 3.0 110.423 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.16 128.2 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 5.25 110.2 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.73 -38.02 11.0 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 120.738 0.304 . . . . 4.6699999999999999 110.392 -175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -159.26 127.69 5.12 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.193 -0.458 . . . . 5.9299999999999997 111.037 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.11 -37.59 45.95 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.104 -0.702 . . . . 6.25 109.104 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.247 -0.888 . . . . 9.5399999999999991 108.931 175.355 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.808 ' HB2' ' HB ' ' A' ' 7' ' ' VAL . 15.5 pt-20 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 121.431 0.634 . . . . 4.25 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -78.26 -29.9 48.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.037 -0.983 . . . . 8.0099999999999998 110.84 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HB3' ' H ' ' A' ' 6' ' ' CYS . 38.6 t -84.06 -15.5 47.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.407 -0.517 . . . . 4.7300000000000004 112.053 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 89.6 mt 57.88 40.83 25.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.973 0.416 . . . . 3.7999999999999998 110.265 -173.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 1.005 ' HA ' ' HB2' ' A' ' 9' ' ' HIS . 1.9 t30 169.1 -44.96 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.03 -0.987 . . . . 5.3899999999999997 110.096 -177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 77.4 m -77.98 -5.97 52.94 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-O 121.445 0.64 . . . . 4.04 110.507 -164.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.808 ' HB ' ' HB2' ' A' ' 1' ' ' GLU . 24.8 t -122.05 -49.07 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 CA-C-N 115.53 -0.759 . . . . 3.0699999999999998 111.276 -175.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 1' ' ' GLU . 38.0 m -97.84 -42.15 7.7 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.159 0.429 . . . . 4.0499999999999998 112.159 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 1.005 ' HB2' ' HA ' ' A' ' 5' ' ' ASN . 23.0 m170 -81.17 59.98 4.12 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.261 0.553 . . . . 6.9299999999999997 111.038 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.813 HG21 ' HB3' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -145.84 -42.81 0.21 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.241 -0.89 . . . . 3.3900000000000001 110.778 -179.17 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.43 -9.99 0.6 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.589 -0.732 . . . . 3.77 111.863 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 10' ' ' THR . 30.5 t -101.76 -57.75 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 3.54 110.082 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.813 ' HB3' HG21 ' A' ' 10' ' ' THR . 82.4 t80 -58.69 -43.29 89.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.492 -0.777 . . . . 7.0599999999999996 111.625 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.645 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 51.1 tp -77.97 -24.56 48.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.394 -0.366 . . . . 5.2800000000000002 111.538 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -85.07 -37.1 20.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.909 -0.316 . . . . 8.1500000000000004 110.742 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.94 -65.31 1.03 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 6.0999999999999996 109.455 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 72.29 -42.76 0.54 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.023 0.929 . . . . 6.1100000000000003 111.753 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.56 144.29 25.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.111 -0.7 . . . . 4.4199999999999999 109.111 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt 59.47 22.0 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.558 0.536 . . . . 6.3700000000000001 111.156 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.7 m -84.79 -9.94 57.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.915 -0.584 . . . . 3.0 110.05 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt 72.46 157.36 0.18 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.297 -0.865 . . . . 5.25 111.789 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.87 0.39 49.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.396 0.617 . . . . 4.6699999999999999 110.051 176.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -148.8 133.98 18.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.473 -0.785 . . . . 5.9299999999999997 109.834 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -50.08 35.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.042 -0.526 . . . . 6.25 110.243 177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.596 -0.729 . . . . 9.5399999999999991 109.36 175.392 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.647 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.081 0.467 . . . . 4.25 111.246 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.584 ' H ' HG21 ' A' ' 7' ' ' VAL . 83.0 t80 -63.24 -56.78 13.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.412 -0.813 . . . . 8.0099999999999998 110.763 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -85.49 12.34 8.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.891 -0.324 . . . . 4.7300000000000004 111.31 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 1' ' ' GLU . 89.5 mt 54.84 34.13 21.32 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.9 0.381 . . . . 3.7999999999999998 110.685 -172.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 178.6 -67.4 0.01 OUTLIER 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.791 -0.64 . . . . 5.3899999999999997 110.277 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 7' ' ' VAL . 14.3 p -53.79 -18.19 3.0 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.271 0.628 . . . . 4.04 112.294 -172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 43.0 t -101.94 -43.63 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 116.045 -0.525 . . . . 3.0699999999999998 111.355 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 1' ' ' GLU . 49.2 m -92.71 -63.68 1.2 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.526 -0.306 . . . . 4.0499999999999998 111.069 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -74.49 88.05 2.11 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.449 0.642 . . . . 6.9299999999999997 110.259 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -166.05 -47.52 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.183 -0.917 . . . . 3.3900000000000001 110.276 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.83 22.99 10.79 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.67 -0.695 . . . . 3.77 111.418 -177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.6 t -140.66 -54.83 0.51 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.112 -0.495 . . . . 3.54 110.635 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -58.08 -65.41 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.415 -0.812 . . . . 7.0599999999999996 112.357 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.5 tp -84.35 -19.4 33.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.046 0.45 . . . . 5.2800000000000002 111.181 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -145.03 102.54 3.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.361 -0.382 . . . . 8.1500000000000004 110.188 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.32 103.15 1.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.743 -0.465 . . . . 6.0999999999999996 109.743 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -145.26 -28.86 0.45 Allowed 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.033 0.444 . . . . 6.1100000000000003 110.978 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.86 -55.8 7.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.203 0.525 . . . . 4.4199999999999999 111.125 -175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -97.41 25.0 5.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.785 -0.643 . . . . 6.3700000000000001 110.263 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.81 -0.632 . . . . 3.0 110.465 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -94.52 -81.81 0.38 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.99 -0.284 . . . . 5.25 111.118 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 -42.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.959 0.409 . . . . 4.6699999999999999 110.781 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -147.43 151.12 35.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.172 -0.467 . . . . 5.9299999999999997 110.25 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.97 -32.26 11.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.631 -0.713 . . . . 6.25 109.971 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--O 1.246 0.909 0 CA-C-N 115.46 -0.791 . . . . 9.5399999999999991 109.139 175.128 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.595 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.1 tp10 . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.921 0.391 . . . . 4.25 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -117.4 -33.46 4.61 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.888 -0.596 . . . . 8.0099999999999998 111.074 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 4.4 m -112.67 10.05 19.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.645 -0.422 . . . . 4.7300000000000004 111.653 -173.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.9 mt 60.94 28.63 18.4 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.538 0.524 . . . . 3.7999999999999998 110.542 -176.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.2 t30 175.58 -51.5 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.167 -0.469 . . . . 5.3899999999999997 111.653 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 7' ' ' VAL . 3.9 p -62.53 -18.11 61.28 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.077 -0.51 . . . . 4.04 111.117 -170.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.595 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 40.3 t -110.88 -54.21 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.101 0 C-N-CA 120.591 -0.444 . . . . 3.0699999999999998 111.791 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 t -80.24 -48.29 13.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.564 0.221 . . . . 4.0499999999999998 111.477 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -74.08 -11.14 60.23 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.296 0.569 . . . . 6.9299999999999997 110.281 -178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 m -118.98 22.92 11.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.464 -0.789 . . . . 3.3900000000000001 109.847 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 -9.77 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.342 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.976 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 t -56.64 -44.56 81.42 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.135 -0.939 . . . . 3.54 109.969 174.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -68.72 -11.88 60.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.313 -0.858 . . . . 7.0599999999999996 110.652 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.8 mt -104.08 -38.63 6.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.386 -0.37 . . . . 5.2800000000000002 111.73 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -103.46 -45.67 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.698 -0.401 . . . . 8.1500000000000004 111.973 -173.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.976 HD23 ' HA ' ' A' ' 12' ' ' SER . 3.7 mm? -72.39 -22.47 61.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.921 0.391 . . . . 6.0999999999999996 110.69 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 67.3 t90 -69.16 -21.84 63.97 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.77 -0.65 . . . . 6.1100000000000003 110.94 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.98 -37.13 63.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.062 -0.517 . . . . 4.4199999999999999 111.698 -175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.6 tp -134.76 38.84 3.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.003 -0.74 . . . . 6.3700000000000001 109.003 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.591 ' HB2' ' HA ' ' A' ' 17' ' ' TRP . 13.0 t -83.95 -169.5 2.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.83 -0.623 . . . . 3.0 110.445 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 21' ' ' LEU . 6.2 mp -80.0 139.6 36.93 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.863 -0.608 . . . . 5.25 110.441 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.38 4.22 36.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 4.6699999999999999 110.525 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -141.48 138.64 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.508 -0.769 . . . . 5.9299999999999997 110.73 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.48 -27.77 21.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.343 0.592 . . . . 6.25 109.583 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 115.003 -0.999 . . . . 9.5399999999999991 109.16 175.266 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 8.7 tp10 . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.228 0.537 . . . . 4.25 110.17 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -108.76 -26.64 10.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 8.0099999999999998 110.804 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.4 t -109.68 7.51 24.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.377 . . . . 4.7300000000000004 110.991 -173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 8.9 mp 59.98 28.03 17.5 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 3.7999999999999998 111.361 177.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' H ' ' CD ' ' A' ' 1' ' ' GLU . 4.9 t30 165.11 -52.15 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.982 -0.554 . . . . 5.3899999999999997 110.785 -172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.0 m -68.61 -10.81 58.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 4.04 111.871 -165.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 70.8 t -113.18 -49.77 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 116.328 -0.396 . . . . 3.0699999999999998 111.188 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -90.13 -42.36 11.12 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.577 0.584 . . . . 4.0499999999999998 112.577 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -80.94 -34.07 33.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 6.9299999999999997 111.279 -175.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.8 m -81.2 -46.53 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.971 -0.752 . . . . 3.3900000000000001 108.971 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.44 -66.04 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.555 -1.202 . . . . 3.77 113.182 176.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 15' ' ' ARG . 1.5 t -49.87 -41.2 44.95 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.461 1.104 . . . . 3.54 113.185 -170.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -54.98 -36.63 65.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 7.0599999999999996 112.15 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.13 -43.17 5.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.367 . . . . 5.2800000000000002 111.051 -177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' SER . 45.0 mtm180 -108.31 130.8 55.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.892 -0.594 . . . . 8.1500000000000004 109.841 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.4 85.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.123 0.487 . . . . 6.0999999999999996 111.441 -174.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -143.51 103.91 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.767 -0.651 . . . . 6.1100000000000003 110.898 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.16 -67.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.377 -0.829 . . . . 4.4199999999999999 109.925 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -97.96 19.98 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.396 0.617 . . . . 6.3700000000000001 109.534 176.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 m -70.24 104.62 2.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.165 -0.925 . . . . 3.0 110.988 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.8 mt -64.18 -39.84 94.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 5.25 110.914 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.89 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.408 -0.815 . . . . 4.6699999999999999 109.348 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -138.92 140.47 38.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.06 -0.973 . . . . 5.9299999999999997 109.512 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.12 -39.23 23.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.394 0.616 . . . . 6.25 109.342 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.82 -1.086 . . . . 9.5399999999999991 108.806 174.527 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 10.3 tp10 . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.912 0.387 . . . . 4.25 110.52 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -110.24 -38.67 5.2 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.872 -0.604 . . . . 8.0099999999999998 110.902 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.587 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 5.2 m -105.12 6.86 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.923 0.342 . . . . 4.7300000000000004 111.923 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.9 mt 61.46 27.44 17.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.451 -0.341 . . . . 3.7999999999999998 110.551 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 t30 177.21 -53.05 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.325 -0.398 . . . . 5.3899999999999997 111.364 -175.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.587 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -63.7 -12.37 33.78 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.983 0.42 . . . . 4.04 111.285 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 1' ' ' GLU . 33.1 t -110.24 -52.53 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 CA-C-N 116.076 -0.511 . . . . 3.0699999999999998 111.043 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 1' ' ' GLU . 11.2 m -83.69 -47.63 11.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.148 0.425 . . . . 4.0499999999999998 112.148 -174.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -87.73 38.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.218 0.532 . . . . 6.9299999999999997 111.339 -170.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -139.53 -48.96 0.48 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.562 -0.744 . . . . 3.3900000000000001 110.678 176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.67 -53.6 0.55 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.526 0.73 . . . . 3.77 111.266 -176.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -53.49 -49.17 68.06 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.016 0.526 . . . . 3.54 111.129 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 17' ' ' TRP . 83.5 t80 -57.92 -45.47 86.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.767 -0.651 . . . . 7.0599999999999996 111.357 -176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.89 -30.9 45.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.502 -0.317 . . . . 5.2800000000000002 111.265 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -72.52 -37.08 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.118 0.485 . . . . 8.1500000000000004 111.042 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -90.79 -11.75 38.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.213 -0.449 . . . . 6.0999999999999996 111.779 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 11.9 t90 -72.26 80.66 1.0 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.492 0.663 . . . . 6.1100000000000003 110.453 178.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.06 -57.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.157 -0.928 . . . . 4.4199999999999999 109.831 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -86.51 4.44 39.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.93 -0.577 . . . . 6.3700000000000001 110.374 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -63.68 -44.0 95.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.708 -0.678 . . . . 3.0 110.33 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.1 mt 57.33 -92.77 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.241 -0.89 . . . . 5.25 111.711 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.37 -37.89 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 4.6699999999999999 110.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' C ' ' H ' ' A' ' 25' ' ' GLN . 7.1 p80 -155.02 -27.21 0.11 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.798 -0.637 . . . . 5.9299999999999997 110.501 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 73.24 -20.66 0.28 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.606 0.762 . . . . 6.25 111.911 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 23' ' ' HIS . 25.0 tt0 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 117.8 -1.095 . . . . 9.5399999999999991 109.299 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 7' ' ' VAL . 9.1 tp10 . . . . . 0 N--CA 1.474 0.76 0 CA-C-O 120.922 0.391 . . . . 4.25 110.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -126.52 -15.63 5.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 8.0099999999999998 109.77 177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 15.0 t -111.28 5.65 20.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.293 -0.412 . . . . 4.7300000000000004 111.114 -173.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt 61.17 23.49 13.68 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.056 0.542 . . . . 3.7999999999999998 112.056 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 t30 170.11 -49.36 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.511 0.507 . . . . 5.3899999999999997 110.671 -176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 10' ' ' THR . 12.8 m -62.97 -10.97 15.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.444 -0.798 . . . . 4.04 111.682 -169.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG22 HD22 ' A' ' 14' ' ' LEU . 55.1 t -110.76 -46.33 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.034 0 CA-C-N 116.36 -0.382 . . . . 3.0699999999999998 110.813 177.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 m -69.38 -37.94 77.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.937 -0.574 . . . . 4.0499999999999998 112.092 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -109.18 -3.08 17.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.696 0.258 . . . . 6.9299999999999997 111.696 -176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 57.9 m -130.94 -65.22 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.44 -0.504 . . . . 3.3900000000000001 111.342 -175.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.04 -45.0 0.58 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.794 0.684 . . . . 3.77 112.393 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.5 t -58.76 -57.51 12.71 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 122.814 0.446 . . . . 3.54 111.185 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' H ' HG22 ' A' ' 10' ' ' THR . 63.2 t80 -67.04 87.38 0.15 Allowed 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.685 0.755 . . . . 7.0599999999999996 109.52 177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD22 HG22 ' A' ' 7' ' ' VAL . 58.3 tp 175.71 -40.07 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 114.233 -1.349 . . . . 5.2800000000000002 107.537 -171.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 15' ' ' ARG . 21.7 ttt180 -160.44 -40.12 0.05 OUTLIER 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.514 -0.766 . . . . 8.1500000000000004 112.003 177.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.43 -4.39 58.46 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.716 -0.394 . . . . 6.0999999999999996 111.942 -172.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -91.77 -27.42 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.948 0.404 . . . . 6.1100000000000003 111.058 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -129.32 143.04 50.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.104 -0.332 . . . . 4.4199999999999999 110.104 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt 70.7 11.86 7.23 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.584 0.553 . . . . 6.3700000000000001 110.622 -177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 t -66.16 -66.64 0.52 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.283 -0.636 . . . . 3.0 109.283 176.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 tp -165.95 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.929 -0.578 . . . . 5.25 109.68 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.07 25.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 4.6699999999999999 109.855 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -136.21 130.03 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 5.9299999999999997 111.303 -174.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.91 -30.94 28.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.048 -0.723 . . . . 6.25 109.048 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.44 -0.931 0 CA-C-N 115.26 -0.882 . . . . 9.5399999999999991 109.002 176.643 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.529 ' CD ' ' HB ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.894 0.378 . . . . 4.25 110.675 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -112.69 -25.14 9.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.899 -0.591 . . . . 8.0099999999999998 109.806 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 13.8 m -115.53 -8.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.8 -0.36 . . . . 4.7300000000000004 111.339 -176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.8 tp 67.51 32.41 5.69 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.818 0.699 . . . . 3.7999999999999998 109.611 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 173.24 -50.22 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.545 -0.752 . . . . 5.3899999999999997 111.636 -176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.673 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 4.4 p -66.16 -18.31 65.27 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.652 . . . . 4.04 110.46 -167.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 14' ' ' LEU . 13.9 t -101.23 -48.47 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.044 0 CA-C-N 115.269 -0.878 . . . . 3.0699999999999998 110.691 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -78.74 -42.4 28.27 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.728 0.64 . . . . 4.0499999999999998 112.728 -177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -106.16 -21.66 13.06 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 6.9299999999999997 112.086 -171.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.622 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 32.4 m -90.78 -49.77 6.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.852 -0.425 . . . . 3.3900000000000001 109.852 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.91 -46.79 0.46 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.413 0.894 . . . . 3.77 113.413 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -57.83 -40.75 80.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.445 0.641 . . . . 3.54 110.995 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' TRP . 83.3 t80 -59.22 -21.36 59.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.817 -1.083 . . . . 7.0599999999999996 113.171 -173.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 7' ' ' VAL . 1.3 pt? -114.51 14.87 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.835 -0.541 . . . . 5.2800000000000002 111.451 179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -141.58 -71.37 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.92 -0.312 . . . . 8.1500000000000004 111.522 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.68 -25.19 64.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 6.0999999999999996 110.345 -177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 64.4 t90 -59.03 -32.29 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.434 -0.803 . . . . 6.1100000000000003 111.032 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.22 -25.86 42.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.253 0.549 . . . . 4.4199999999999999 110.283 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -102.57 13.05 35.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.671 -0.695 . . . . 6.3700000000000001 110.044 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -68.13 151.01 47.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.612 -0.722 . . . . 3.0 110.07 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.6 tp -71.57 1.94 5.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.249 0.462 . . . . 5.25 112.249 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 -9.36 58.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.238 0.542 . . . . 4.6699999999999999 109.891 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -66.43 -25.92 66.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.344 -0.844 . . . . 5.9299999999999997 111.015 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.46 77.21 0.01 OUTLIER 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.352 -0.385 . . . . 6.25 110.473 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.233 -0.889 . . . . 9.5399999999999991 110.144 176.803 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 4' ' ' LEU . 4.3 mm-40 . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.451 0.643 . . . . 4.25 110.985 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 59.5 t80 -82.73 -39.25 22.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.012 -0.995 . . . . 8.0099999999999998 109.242 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.665 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 3.7 m -123.53 9.94 9.07 Favored 'General case' 0 C--N 1.334 -0.096 0 N-CA-C 112.069 0.396 . . . . 4.7300000000000004 112.069 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 1' ' ' GLU . 94.7 mt 55.68 27.33 10.45 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.002 0.429 . . . . 3.7999999999999998 110.618 -176.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -177.06 -57.22 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.004 -0.544 . . . . 5.3899999999999997 110.963 -169.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 10.0 p -66.94 -4.07 8.61 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.613 0.72 . . . . 4.04 110.345 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.473 HG23 ' SG ' ' A' ' 6' ' ' CYS . 78.4 t -118.4 -61.53 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 CA-C-N 115.238 -0.892 . . . . 3.0699999999999998 111.03 -177.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -83.96 -41.93 16.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.713 0.634 . . . . 4.0499999999999998 112.713 -178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -68.91 -21.5 64.22 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.461 0.648 . . . . 6.9299999999999997 110.09 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.1 m -76.77 -32.37 57.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.276 -0.875 . . . . 3.3900000000000001 109.286 174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.28 17.95 7.52 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 114.835 -1.075 . . . . 3.77 112.822 175.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 m -135.08 -49.07 0.74 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.176 -0.465 . . . . 3.54 110.61 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -57.92 -37.2 73.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.299 -0.864 . . . . 7.0599999999999996 112.544 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -65.22 -21.91 66.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.973 0.416 . . . . 5.2800000000000002 111.294 -177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 17' ' ' TRP . 43.3 ttp180 -113.83 -6.02 13.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 8.1500000000000004 110.543 -175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp 61.09 25.22 15.26 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.605 -0.725 . . . . 6.0999999999999996 110.886 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' HB3' ' HE ' ' A' ' 15' ' ' ARG . 49.6 t-105 -104.3 103.42 13.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 6.1100000000000003 110.133 -175.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.17 86.55 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.919 -0.582 . . . . 4.4199999999999999 110.311 176.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 32.9 tp 62.11 28.92 17.42 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.541 0.686 . . . . 6.3700000000000001 110.197 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.2 t -87.68 156.43 19.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.822 -0.627 . . . . 3.0 110.288 -177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.31 -153.62 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.607 -0.516 . . . . 5.25 109.607 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.24 -3.6 58.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.436 0.636 . . . . 4.6699999999999999 109.899 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -130.91 142.43 50.36 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.167 -0.924 . . . . 5.9299999999999997 109.59 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.43 -23.93 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 6.25 109.731 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--O 1.245 0.818 0 CA-C-N 115.4 -0.818 . . . . 9.5399999999999991 109.083 175.518 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm-40 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.678 0.275 . . . . 4.25 110.492 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -91.45 -38.2 12.71 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.647 -0.421 . . . . 8.0099999999999998 110.035 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.553 ' HB2' ' H ' ' A' ' 6' ' ' CYS . 2.0 m -112.16 3.47 17.27 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.676 -0.409 . . . . 4.7300000000000004 111.986 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 mp 56.66 31.73 19.79 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.701 0.762 . . . . 3.7999999999999998 110.209 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -176.16 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.996 -1.002 . . . . 5.3899999999999997 110.246 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.553 ' H ' ' HB2' ' A' ' 3' ' ' CYS . 17.6 p -61.85 -12.99 20.23 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.302 0.573 . . . . 4.04 109.822 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.926 ' HA ' HD21 ' A' ' 14' ' ' LEU . 18.3 t -104.5 -58.87 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.661 0 CA-C-N 115.096 -0.956 . . . . 3.0699999999999998 111.104 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -77.23 -47.52 19.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.971 0.415 . . . . 4.0499999999999998 111.335 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -90.0 28.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.82 -0.627 . . . . 6.9299999999999997 110.79 -174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.2 m -143.04 -55.13 0.41 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.777 -0.647 . . . . 3.3900000000000001 109.828 176.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . 67.63 -57.76 0.44 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.505 0.722 . . . . 3.77 112.553 176.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 t -53.14 -40.41 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.829 0.852 . . . . 3.54 111.372 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -64.25 -14.68 57.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.235 -0.893 . . . . 7.0599999999999996 111.689 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 7' ' ' VAL . 3.2 mm? -97.23 13.22 30.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.601 -0.272 . . . . 5.2800000000000002 110.316 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 69.03 21.02 7.55 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.764 0.665 . . . . 8.1500000000000004 110.021 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' O ' ' HB2' ' A' ' 20' ' ' SER . 35.8 tp -78.59 1.74 21.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.674 -0.694 . . . . 6.0999999999999996 110.767 -176.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -91.84 -49.43 6.25 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.9 -0.32 . . . . 6.1100000000000003 110.573 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.93 -42.77 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.487 -0.324 . . . . 4.4199999999999999 111.729 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.29 27.23 1.71 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.987 0.422 . . . . 6.3700000000000001 110.149 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 8.5 t -84.88 174.75 9.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 3.0 110.413 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.61 147.69 44.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.208 -0.451 . . . . 5.25 109.953 178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.29 1.43 13.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 4.6699999999999999 110.277 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -167.88 135.52 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.779 -0.646 . . . . 5.9299999999999997 110.082 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.59 -37.46 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.499 . . . . 6.25 110.72 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.545 -0.74 . . . . 9.5399999999999991 109.871 179.652 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.484 1.265 0 N-CA-C 110.075 -0.343 . . . . 4.25 110.075 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.45 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 50.4 t80 -80.44 -71.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.216 -0.661 . . . . 8.0099999999999998 109.216 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.8 OUTLIER -89.89 13.18 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 4.7300000000000004 110.27 176.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 88.0 mt 70.5 -3.79 1.8 Allowed 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.786 -0.643 . . . . 3.7999999999999998 111.669 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -146.39 -52.42 0.23 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.369 -0.207 . . . . 5.3899999999999997 111.328 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.633 ' O ' ' HB ' ' A' ' 10' ' ' THR . 19.5 p -46.05 -36.51 5.77 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.868 0.73 . . . . 4.04 111.232 -175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.57 HG22 ' HG ' ' A' ' 14' ' ' LEU . 49.1 t -101.9 -40.76 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.586 -0.734 . . . . 3.0699999999999998 110.829 178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -58.1 -69.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.267 -0.879 . . . . 4.0499999999999998 112.677 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -85.77 -16.97 37.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 6.9299999999999997 110.95 -173.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 2.8 m -109.09 23.76 14.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.008 0.909 . . . . 3.3900000000000001 109.305 -176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.56 -19.19 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.742 -1.117 . . . . 3.77 111.133 174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -53.27 -40.27 64.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.531 0.682 . . . . 3.54 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -99.38 -24.98 14.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.048 -0.978 . . . . 7.0599999999999996 111.108 -175.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 7' ' ' VAL . 4.5 mm? -90.04 -7.84 52.95 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.506 -0.316 . . . . 5.2800000000000002 111.412 -178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -125.81 169.1 12.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.505 -0.316 . . . . 8.1500000000000004 110.497 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.27 72.39 4.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 6.0999999999999996 109.949 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 65.4 t-105 -112.25 -23.21 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 6.1100000000000003 110.29 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.92 127.02 35.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.396 . . . . 4.4199999999999999 110.157 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 mp 65.55 10.36 6.59 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.234 0.54 . . . . 6.3700000000000001 110.641 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 m -107.46 122.23 46.21 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.831 -0.622 . . . . 3.0 110.921 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -91.94 -50.15 5.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.419 -0.355 . . . . 5.25 110.338 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.75 38.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 4.6699999999999999 112.018 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.56 118.61 33.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.212 -0.595 . . . . 5.9299999999999997 110.322 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -40.17 53.32 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.375 0.607 . . . . 6.25 109.477 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.281 -0.866 . . . . 9.5399999999999991 109.168 174.274 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.519 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 34.8 mt-10 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.964 0.411 . . . . 4.25 110.591 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HD2' ' SG ' ' A' ' 3' ' ' CYS . 63.5 t80 -67.59 -63.89 0.97 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.862 -0.608 . . . . 8.0099999999999998 110.478 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' SG ' ' HD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -96.14 15.78 19.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.631 0.253 . . . . 4.7300000000000004 110.89 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' HA ' ' HB3' ' A' ' 1' ' ' GLU . 35.3 tp 67.09 -6.69 0.56 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.728 -0.669 . . . . 3.7999999999999998 111.654 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.17 -55.33 0.65 Allowed 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.83 -0.544 . . . . 5.3899999999999997 110.841 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' O ' ' HB ' ' A' ' 10' ' ' THR . 31.0 p -45.39 -39.49 6.99 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.054 0.847 . . . . 4.04 111.082 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.6 t -93.98 -51.46 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 115.085 -0.961 . . . . 3.0699999999999998 110.177 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.519 ' HB2' ' HG2' ' A' ' 1' ' ' GLU . 31.8 t -60.75 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.603 . . . . 4.0499999999999998 112.269 -174.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -88.03 35.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 6.9299999999999997 111.653 -172.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 88.3 m -143.05 -65.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.109 0.48 . . . . 3.3900000000000001 110.837 -179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.26 -42.24 9.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.865 -0.607 . . . . 3.77 110.33 -174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -66.86 -42.29 85.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.057 -0.974 . . . . 3.54 110.309 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -59.59 -30.17 68.48 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.707 -0.679 . . . . 7.0599999999999996 111.589 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.2 mt -94.41 3.05 55.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 5.2800000000000002 110.446 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HG2' HD23 ' A' ' 19' ' ' LEU . 1.0 OUTLIER 61.55 14.73 6.17 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.608 -0.724 . . . . 8.1500000000000004 112.251 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.93 8.98 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.643 0.735 . . . . 6.0999999999999996 109.922 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -131.57 -25.96 2.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.164 -0.926 . . . . 6.1100000000000003 109.815 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.78 -48.34 9.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.769 -0.65 . . . . 4.4199999999999999 111.293 -174.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD23 ' HG2' ' A' ' 15' ' ' ARG . 3.4 mm? -100.08 16.97 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 6.3700000000000001 109.928 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -111.34 -172.04 1.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.488 -0.778 . . . . 3.0 110.426 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.6 mt -102.7 130.39 49.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 5.25 111.585 -176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.38 -26.44 14.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.9 -0.591 . . . . 4.6699999999999999 109.59 176.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -166.34 139.53 4.01 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.387 -0.824 . . . . 5.9299999999999997 109.921 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.4 -30.0 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.073 0.463 . . . . 6.25 110.719 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.263 -0.875 . . . . 9.5399999999999991 109.771 177.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.655 ' HB3' ' H ' ' A' ' 4' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.868 0.366 . . . . 4.25 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -82.57 -32.97 28.25 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.548 -0.538 . . . . 8.0099999999999998 109.548 172.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t -105.44 -15.23 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.995 0.739 . . . . 4.7300000000000004 112.995 -175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.655 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 98.2 mt 59.78 37.09 22.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.195 0.522 . . . . 3.7999999999999998 110.311 -176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t30 171.69 -47.41 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.148 -0.933 . . . . 5.3899999999999997 109.683 -173.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' HA ' ' OG1' ' A' ' 10' ' ' THR . 57.7 m -78.47 3.59 15.49 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.95 0.881 . . . . 4.04 109.854 -171.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' HB ' ' OE1' ' A' ' 1' ' ' GLU . 24.1 t -117.59 -55.56 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 114.494 -1.23 . . . . 3.0699999999999998 110.716 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.0 p -76.82 -58.3 3.36 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 4.0499999999999998 111.904 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -73.97 -9.06 58.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.252 -0.431 . . . . 6.9299999999999997 111.469 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.507 ' OG1' ' HA ' ' A' ' 6' ' ' CYS . 79.4 m -90.53 -41.91 11.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.163 -0.472 . . . . 3.3900000000000001 110.762 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 68.03 -46.9 0.52 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.636 0.775 . . . . 3.77 112.96 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -56.54 -40.14 74.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.219 0.533 . . . . 3.54 110.625 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.4 -28.66 68.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.304 -0.862 . . . . 7.0599999999999996 111.332 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.1 mt -97.92 11.07 38.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 5.2800000000000002 110.486 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 63.08 27.86 15.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.541 -0.754 . . . . 8.1500000000000004 111.026 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.56 11.65 37.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.268 0.556 . . . . 6.0999999999999996 110.17 177.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -137.79 -61.01 0.63 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.553 -0.749 . . . . 6.1100000000000003 109.495 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.92 135.66 33.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.044 -0.526 . . . . 4.4199999999999999 109.672 176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.5 mt 63.8 28.94 14.82 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.333 0.395 . . . . 6.3700000000000001 110.815 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.9 t -90.22 -4.68 57.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.895 -0.593 . . . . 3.0 111.122 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 66.86 -174.46 0.19 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.147 0.499 . . . . 5.25 111.446 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.08 -55.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.745 -0.661 . . . . 4.6699999999999999 109.451 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -75.86 143.22 41.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.478 -0.783 . . . . 5.9299999999999997 110.116 174.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.32 -26.59 28.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.199 0.524 . . . . 6.25 109.774 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.568 -0.742 . . . . 9.5399999999999991 109.856 177.097 . . . . . . . . 0 0 . 1 stop_ save_