data_2n9t_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 2n9t _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 ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.626 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.725 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.633 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.513 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt . . . . . 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.645 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HZ1' ' HB3' ' A' ' 26' ' ' LYS . 8.4 mtpm? . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.567 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.705 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.553 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.241 0.622 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.748 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.748 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.421 -1.922 0 CA-C-O 121.238 0.542 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.428 -1.532 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD2' HE22 ' A' ' 3' ' ' GLN . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.49 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.813 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.658 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 HG11 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.813 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 121.788 0.804 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.441 ' H ' ' HE3' ' A' ' 19' ' ' MET . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HE3' ' H ' ' A' ' 5' ' ' TRP . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm . . . . . 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.424 -1.76 0 CA-C-O 122.049 0.928 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.682 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.847 0.832 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.496 ' H ' ' HE1' ' A' ' 19' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.569 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HD3' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.496 ' HE1' ' H ' ' A' ' 5' ' ' TRP . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.739 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.757 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.439 -1.011 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.653 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.662 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.77 0.795 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.715 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.809 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.437 -1.076 0 CA-C-O 121.668 0.747 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.723 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.426 ' H ' ' HE3' ' A' ' 19' ' ' MET . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.677 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.769 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE3' ' H ' ' A' ' 5' ' ' TRP . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.677 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.737 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.68 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.551 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.718 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.46 140.39 29.64 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.478 ' CH2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.626 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.725 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -153.13 158.99 42.66 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HE2' ' CH2' ' A' ' 5' ' ' TRP . 18.4 pttm -91.26 136.35 33.16 Favored 'General case' 0 N--CA 1.413 -2.298 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 170.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -85.53 97.16 9.9 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt 69.59 -177.14 0.21 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.291 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 CA--C 1.514 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -159.4 179.16 9.2 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.678 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.633 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -146.0 179.15 7.68 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -124.26 169.18 12.03 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.24 114.38 24.81 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.544 0.688 . . . . 0.0 110.148 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.64 88.33 5.81 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.142 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 68.0 m95 . . . . . 0 C--O 1.247 0.927 0 C-N-CA 124.196 0.998 . . . . 0.0 111.383 178.365 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m -78.08 150.37 33.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.513 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -144.3 149.47 36.3 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -82.0 166.9 19.41 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 104.65 6.57 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -120.33 156.2 31.78 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.041 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.59 142.28 29.6 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.603 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.645 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' OE2' ' HD2' ' A' ' 27' ' ' LYS . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HZ1' ' HB3' ' A' ' 26' ' ' LYS . 8.4 mtpm? -114.29 151.32 33.1 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 55.7 pttt -95.93 157.11 16.04 Favored 'General case' 0 C--N 1.284 -2.263 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.605 -177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -86.53 103.77 15.35 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.998 0.904 . . . . 0.0 112.937 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mp -92.71 -23.46 18.92 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.662 -178.568 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 121.395 0.617 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.99 139.62 30.33 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.567 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.705 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.553 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.553 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -132.55 154.52 49.91 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 10.8 ptmm? -66.7 167.21 11.57 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 123.793 0.683 . . . . 0.0 110.195 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.43 86.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.069 0.937 . . . . 0.0 113.352 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -104.7 -7.5 19.52 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-N 113.58 -1.645 . . . . 0.0 106.761 179.144 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.77 147.85 38.95 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.748 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.748 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.89 158.66 43.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -84.97 176.54 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.47 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -73.32 147.82 44.09 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.316 0.579 . . . . 0.0 111.947 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -127.62 82.88 2.11 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.874 0.845 . . . . 0.0 108.734 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.308 -1.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.166 -177.333 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.466 0.65 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t -98.81 170.01 9.06 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.501 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -143.68 155.72 44.31 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -97.15 146.85 24.66 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.57 88.41 7.65 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 tp -82.69 74.58 9.65 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.978 -174.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.3 t90 . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.376 179.267 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.241 0.644 0 CA-C-O 121.401 0.62 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m -107.76 138.02 44.74 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.651 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HD2' HE22 ' A' ' 3' ' ' GLN . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.485 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.45 149.38 51.77 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -72.96 150.39 42.55 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 18' ' ' GLY . 9.5 mtmp? -75.28 137.89 41.48 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.329 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 157.91 20.24 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.505 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--O 1.261 1.703 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.514 178.765 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -142.3 173.93 11.08 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.49 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.813 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.658 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG11 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.813 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -144.71 159.9 42.08 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.19 154.39 41.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.718 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -91.42 129.69 37.37 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.075 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.28 22.47 5.95 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.243 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 . . . . . 0 C--N 1.307 -1.262 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.193 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--O 1.242 0.69 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m -140.67 150.34 43.39 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 113.344 -1.753 . . . . 0.0 111.439 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' H ' ' HE3' ' A' ' 19' ' ' MET . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.672 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.441 ' HE3' ' H ' ' A' ' 5' ' ' TRP . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -128.41 158.81 37.26 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -78.64 150.3 32.69 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.05 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -73.42 128.98 37.02 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -106.78 115.8 30.83 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.6 m95 . . . . . 0 C--N 1.292 -1.9 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.979 -177.294 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.818 0.818 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.56 126.43 36.74 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.682 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -137.54 155.62 49.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -78.55 146.82 34.05 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.41 0.444 . . . . 0.0 110.991 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.36 104.29 3.14 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.583 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 tp -85.92 -38.69 17.74 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 60.9 t90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.661 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--O 1.241 0.631 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m -126.84 144.59 50.93 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.866 -1.515 . . . . 0.0 111.014 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.496 ' H ' ' HE1' ' A' ' 19' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.569 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HD3' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.496 ' HE1' ' H ' ' A' ' 5' ' ' TRP . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -136.02 163.5 30.16 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -91.0 -171.29 2.95 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.438 -173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -65.5 147.74 52.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.1 106.38 0.59 Allowed 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.842 0.829 . . . . 0.0 111.003 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.6 t90 . . . . . 0 C--N 1.298 -1.669 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.71 -178.135 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.809 0.814 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m -91.59 158.44 16.43 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.757 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.739 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.757 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -135.41 173.07 12.13 Favored 'General case' 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -90.23 148.96 22.6 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -68.2 123.67 21.35 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.68 131.32 35.06 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.404 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.2 m95 . . . . . 0 C--N 1.296 -1.75 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.765 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t -97.83 -176.38 3.44 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.392 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.653 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.662 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -95.24 143.83 26.32 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-O 121.412 0.625 . . . . 0.0 111.536 -173.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -95.36 83.98 3.94 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -84.56 -60.53 2.04 Favored 'General case' 0 C--N 1.266 -3.024 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.806 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 C--O 1.249 1.065 0 O-C-N 124.437 1.085 . . . . 0.0 112.296 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.239 0.505 0 CA-C-O 122.089 0.947 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -130.0 146.18 51.67 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.376 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.715 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.809 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.457 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -133.05 140.81 47.9 Favored 'General case' 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -75.71 169.3 18.39 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.55 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -80.66 93.92 6.24 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 121.882 0.848 . . . . 0.0 110.505 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.19 141.49 28.61 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.814 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.769 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m -73.86 155.17 39.04 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.179 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.723 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.426 ' H ' ' HE3' ' A' ' 19' ' ' MET . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.677 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.769 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.769 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE3' ' H ' ' A' ' 5' ' ' TRP . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.677 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -137.42 166.2 24.41 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -74.41 135.54 42.39 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 123.447 0.467 . . . . 0.0 110.116 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -97.68 102.46 14.22 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.146 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 tp -87.54 -23.81 24.25 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 . . . . . 0 C--O 1.258 1.513 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.867 178.122 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.734 0.778 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m -88.37 143.14 27.19 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.642 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.737 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -138.88 157.94 45.13 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -80.1 150.5 30.25 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.794 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.67 110.41 2.76 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.562 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.9 mt -134.05 38.8 3.16 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 124.626 1.17 . . . . 0.0 110.666 -177.406 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 CA--C 1.502 -0.87 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.51 145.97 24.93 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.68 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -142.98 159.7 41.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -96.86 178.38 5.31 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.03 83.29 3.91 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.633 0.73 . . . . 0.0 110.121 -177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -99.68 -35.73 9.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.35 175.689 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -143.93 148.12 34.92 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.78 -1.554 . . . . 0.0 107.764 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.551 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.718 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' HB3' ' H ' ' A' ' 23' ' ' LEU . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' H ' ' HB3' ' A' ' 22' ' ' ARG . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -123.38 164.75 18.24 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -73.29 160.09 32.4 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.798 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -81.66 126.47 31.81 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.46 -48.02 4.48 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 . . . . . 0 C--N 1.308 -1.205 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.885 -176.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -96.0 145.99 24.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.618 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.638 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.45 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -119.7 163.23 17.73 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.638 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 56.0 mtpt -76.11 131.58 39.51 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.48 117.23 8.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.86 166.22 30.19 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.053 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 . . . . . 0 C--N 1.3 -1.571 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.552 178.838 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.414 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.554 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.534 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 6' ' ' MET . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt . . . . . 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.606 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.613 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 6' ' ' MET . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.707 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.241 0.622 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.755 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' N ' ' HB3' ' A' ' 13' ' ' ARG . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' N ' ' A' ' 10' ' ' ASP . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.403 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.421 -1.922 0 CA-C-O 121.238 0.542 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 3' ' ' GLN . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.428 -1.532 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.568 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.664 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.525 ' H ' ' HB3' ' A' ' 10' ' ' ASP . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.509 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 20' ' ' VAL . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.817 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 121.788 0.804 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.687 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.687 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm . . . . . 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.424 -1.76 0 CA-C-O 122.049 0.928 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.847 0.832 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.662 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.77 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.741 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.77 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.439 -1.011 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.77 0.795 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.815 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.815 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.437 -1.076 0 CA-C-O 121.668 0.747 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.724 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.749 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.638 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.749 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.737 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.46 140.39 29.64 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.487 ' CH2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.554 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -153.13 158.99 42.66 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HE2' ' CH2' ' A' ' 5' ' ' TRP . 18.4 pttm -91.26 136.35 33.16 Favored 'General case' 0 N--CA 1.413 -2.298 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 170.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -85.53 97.16 9.9 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt 69.59 -177.14 0.21 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.291 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.292 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 CA--C 1.514 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -159.4 179.16 9.2 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -146.0 179.15 7.68 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -124.26 169.18 12.03 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.24 114.38 24.81 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.544 0.688 . . . . 0.0 110.148 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.64 88.33 5.81 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.142 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 68.0 m95 . . . . . 0 C--O 1.247 0.927 0 C-N-CA 124.196 0.998 . . . . 0.0 111.383 178.365 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m -78.08 150.37 33.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 6' ' ' MET . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -144.3 149.47 36.3 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -82.0 166.9 19.41 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 104.65 6.57 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -120.33 156.2 31.78 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.041 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.59 142.28 29.6 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.606 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.613 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 27' ' ' LYS . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 6' ' ' MET . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -114.29 151.32 33.1 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 55.7 pttt -95.93 157.11 16.04 Favored 'General case' 0 C--N 1.284 -2.263 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.605 -177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -86.53 103.77 15.35 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.998 0.904 . . . . 0.0 112.937 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mp -92.71 -23.46 18.92 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.662 -178.568 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 121.395 0.617 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.99 139.62 30.33 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.707 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -132.55 154.52 49.91 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -66.7 167.21 11.57 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 123.793 0.683 . . . . 0.0 110.195 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.43 86.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.069 0.937 . . . . 0.0 113.352 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -104.7 -7.5 19.52 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-N 113.58 -1.645 . . . . 0.0 106.761 179.144 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.77 147.85 38.95 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.755 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' N ' ' HB3' ' A' ' 13' ' ' ARG . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' N ' ' A' ' 10' ' ' ASP . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.403 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.89 158.66 43.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -84.97 176.54 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.47 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -73.32 147.82 44.09 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.316 0.579 . . . . 0.0 111.947 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -127.62 82.88 2.11 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.874 0.845 . . . . 0.0 108.734 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.308 -1.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.166 -177.333 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.466 0.65 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t -98.81 170.01 9.06 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.501 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 3' ' ' GLN . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -143.68 155.72 44.31 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -97.15 146.85 24.66 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.57 88.41 7.65 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 tp -82.69 74.58 9.65 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.978 -174.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.3 t90 . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.376 179.267 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.241 0.644 0 CA-C-O 121.401 0.62 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m -107.76 138.02 44.74 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.568 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.664 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' H ' ' HB3' ' A' ' 10' ' ' ASP . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.493 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.45 149.38 51.77 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -72.96 150.39 42.55 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HE3' ' O ' ' A' ' 18' ' ' GLY . 9.5 mtmp? -75.28 137.89 41.48 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.329 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 157.91 20.24 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.505 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--O 1.261 1.703 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.514 178.765 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -142.3 173.93 11.08 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.509 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 20' ' ' VAL . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.817 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -144.71 159.9 42.08 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.19 154.39 41.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.718 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -91.42 129.69 37.37 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.075 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.28 22.47 5.95 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.243 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 . . . . . 0 C--N 1.307 -1.262 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.193 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--O 1.242 0.69 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m -140.67 150.34 43.39 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 113.344 -1.753 . . . . 0.0 111.439 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.687 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.687 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -128.41 158.81 37.26 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -78.64 150.3 32.69 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.05 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -73.42 128.98 37.02 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -106.78 115.8 30.83 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.6 m95 . . . . . 0 C--N 1.292 -1.9 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.979 -177.294 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.818 0.818 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.56 126.43 36.74 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -137.54 155.62 49.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.3 pttp -78.55 146.82 34.05 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.41 0.444 . . . . 0.0 110.991 -176.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.36 104.29 3.14 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.583 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 tp -85.92 -38.69 17.74 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 60.9 t90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.661 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--O 1.241 0.631 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m -126.84 144.59 50.93 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.866 -1.515 . . . . 0.0 111.014 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' H ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -136.02 163.5 30.16 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -91.0 -171.29 2.95 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.438 -173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -65.5 147.74 52.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.1 106.38 0.59 Allowed 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.842 0.829 . . . . 0.0 111.003 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.6 t90 . . . . . 0 C--N 1.298 -1.669 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.71 -178.135 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.809 0.814 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m -91.59 158.44 16.43 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.77 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.741 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.77 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -135.41 173.07 12.13 Favored 'General case' 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -90.23 148.96 22.6 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -68.2 123.67 21.35 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.68 131.32 35.06 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.404 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.2 m95 . . . . . 0 C--N 1.296 -1.75 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.765 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t -97.83 -176.38 3.44 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.392 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -95.24 143.83 26.32 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-O 121.412 0.625 . . . . 0.0 111.536 -173.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -95.36 83.98 3.94 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -84.56 -60.53 2.04 Favored 'General case' 0 C--N 1.266 -3.024 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.806 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 C--O 1.249 1.065 0 O-C-N 124.437 1.085 . . . . 0.0 112.296 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.239 0.505 0 CA-C-O 122.089 0.947 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -130.0 146.18 51.67 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.376 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.815 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 23' ' ' LEU . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.815 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -133.05 140.81 47.9 Favored 'General case' 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -75.71 169.3 18.39 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.55 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -80.66 93.92 6.24 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 121.882 0.848 . . . . 0.0 110.505 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.19 141.49 28.61 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.814 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.769 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m -73.86 155.17 39.04 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.179 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.724 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -137.42 166.2 24.41 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -74.41 135.54 42.39 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 123.447 0.467 . . . . 0.0 110.116 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -97.68 102.46 14.22 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.146 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 tp -87.54 -23.81 24.25 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 . . . . . 0 C--O 1.258 1.513 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.867 178.122 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.734 0.778 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m -88.37 143.14 27.19 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.749 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.638 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.749 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -138.88 157.94 45.13 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -80.1 150.5 30.25 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.794 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.67 110.41 2.76 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.562 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.9 mt -134.05 38.8 3.16 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 124.626 1.17 . . . . 0.0 110.666 -177.406 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 CA--C 1.502 -0.87 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.51 145.97 24.93 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -142.98 159.7 41.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -96.86 178.38 5.31 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.03 83.29 3.91 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.633 0.73 . . . . 0.0 110.121 -177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -99.68 -35.73 9.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.35 175.689 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -143.93 148.12 34.92 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.78 -1.554 . . . . 0.0 107.764 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.737 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -123.38 164.75 18.24 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -73.29 160.09 32.4 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.798 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -81.66 126.47 31.81 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.46 -48.02 4.48 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 . . . . . 0 C--N 1.308 -1.205 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.885 -176.826 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -96.0 145.99 24.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -119.7 163.23 17.73 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 56.0 mtpt -76.11 131.58 39.51 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.48 117.23 8.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.86 166.22 30.19 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.053 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 . . . . . 0 C--N 1.3 -1.571 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.552 178.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.414 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.554 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt . . . . . 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.534 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 6' ' ' MET . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt . . . . . 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.606 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.613 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 6' ' ' MET . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.707 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt . . . . . 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.241 0.622 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.755 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.402 ' N ' ' HB3' ' A' ' 13' ' ' ARG . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' N ' ' A' ' 10' ' ' ASP . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.403 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.421 -1.922 0 CA-C-O 121.238 0.542 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 3' ' ' GLN . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.428 -1.532 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.568 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.664 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.525 ' H ' ' HB3' ' A' ' 10' ' ' ASP . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.509 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 20' ' ' VAL . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.817 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 121.788 0.804 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.687 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.687 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm . . . . . 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.424 -1.76 0 CA-C-O 122.049 0.928 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.847 0.832 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.662 ' HD3' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.77 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.741 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.77 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.439 -1.011 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' H ' HD23 ' A' ' 23' ' ' LEU . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt . . . . . 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.419 -2.014 0 CA-C-O 121.77 0.795 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.815 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.815 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt . . . . . 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.437 -1.076 0 CA-C-O 121.668 0.747 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.724 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt . . . . . 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.749 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.638 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.749 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt . . . . . 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm . . . . . 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.737 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt . . . . . 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.423 -1.813 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 CA--C 1.514 -0.406 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.1 t -93.46 140.39 29.64 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.4 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.8 mp0 -88.09 106.0 17.87 Favored 'General case' 0 C--N 1.275 -2.669 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.51 -173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -92.03 109.49 20.84 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.487 ' CH2' ' HE2' ' A' ' 27' ' ' LYS . 0.5 OUTLIER 50.23 -145.58 0.45 Allowed 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.148 -171.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.3 ptm -61.27 103.32 0.29 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -174.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.414 ' HD1' ' O ' ' A' ' 6' ' ' MET . 11.6 m0 -139.2 172.55 12.67 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 125.525 1.53 . . . . 0.0 107.847 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -91.76 146.21 23.95 Favored 'General case' 0 N--CA 1.434 -1.27 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.823 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 4.1 p -109.53 162.28 14.54 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.746 -178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.517 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 21.4 m-20 -135.53 -176.4 4.27 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t -73.39 -33.52 65.06 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.71 -55.22 6.1 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.327 174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -68.77 118.35 11.63 Favored 'General case' 0 CA--C 1.483 -1.624 0 CA-C-N 114.596 -1.184 . . . . 0.0 113.763 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -110.46 127.84 55.32 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.602 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 56.7 m -69.77 115.47 9.04 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-O 122.206 1.003 . . . . 0.0 113.166 -171.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.9 m -54.53 155.48 4.0 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 113.185 -1.825 . . . . 0.0 113.288 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 68.43 15.85 9.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 111.004 175.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.59 57.82 5.27 Favored Glycine 0 N--CA 1.439 -1.165 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.203 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.2 mtt -110.08 140.87 43.67 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.6 p -78.3 135.46 26.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-O 120.953 0.406 . . . . 0.0 111.646 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 36.1 t -72.42 123.19 22.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.582 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.554 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.7 tpt180 -153.52 -156.13 0.66 Allowed 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.6 mt -56.26 -40.34 74.05 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.237 0.926 . . . . 0.0 108.53 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -140.3 130.2 24.64 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.003 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.731 ' SG ' ' HA ' ' A' ' 21' ' ' CYS . 81.7 m -80.5 121.24 25.52 Favored 'General case' 0 CA--C 1.47 -2.119 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -153.13 158.99 42.66 Favored 'General case' 0 C--N 1.282 -2.334 0 O-C-N 123.34 0.4 . . . . 0.0 110.426 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.487 ' HE2' ' CH2' ' A' ' 5' ' ' TRP . 18.4 pttm -91.26 136.35 33.16 Favored 'General case' 0 N--CA 1.413 -2.298 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 170.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -85.53 97.16 9.9 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.8 mt 69.59 -177.14 0.21 Allowed 'General case' 0 C--O 1.247 0.925 0 CA-C-N 114.174 -1.376 . . . . 0.0 110.291 -176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 37.2 t-105 . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -177.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 CA--C 1.514 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.2 t -159.4 179.16 9.2 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 1.7 mp0 -86.28 98.15 10.79 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -177.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mtmp? -101.49 112.12 24.57 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.1 t90 60.65 -146.57 0.46 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.7 ptp -62.38 103.42 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -172.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -144.93 176.85 9.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 p -94.37 150.95 19.79 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-O 120.904 0.383 . . . . 0.0 111.909 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.648 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 23.0 p -127.67 170.39 12.74 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.927 0.394 . . . . 0.0 111.144 -177.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -145.76 -178.59 6.18 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 m -69.96 -35.1 74.22 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.264 0.554 . . . . 0.0 109.75 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.49 -50.74 7.47 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.652 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 2.0 tpm_? -76.79 109.86 10.92 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.512 -177.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -106.41 148.65 27.86 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.054 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.648 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.0 m -92.99 123.63 36.38 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.42 -175.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.6 m -63.7 160.24 17.44 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.448 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 73.69 15.72 3.97 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.469 1.508 . . . . 0.0 109.886 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.77 54.87 30.43 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.653 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.82 144.46 25.63 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.604 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.61 124.98 36.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.818 0.818 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.34 118.66 16.57 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.515 -177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.09 -154.16 0.51 Allowed 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -50.45 -46.8 56.88 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 -135.46 138.53 43.27 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 113.69 -1.596 . . . . 0.0 106.91 172.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 99.7 m -71.85 129.39 38.49 Favored 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 172.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -146.0 179.15 7.68 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -124.26 169.18 12.03 Favored 'General case' 0 C--N 1.287 -2.14 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -88.24 114.38 24.81 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-O 121.544 0.688 . . . . 0.0 110.148 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.64 88.33 5.81 Favored 'General case' 0 C--N 1.289 -2.033 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.142 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 68.0 m95 . . . . . 0 C--O 1.247 0.927 0 C-N-CA 124.196 0.998 . . . . 0.0 111.383 178.365 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 m -78.08 150.37 33.75 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 121.445 0.641 . . . . 0.0 111.245 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.81 104.63 16.36 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.796 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -96.99 110.75 23.22 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 52.03 -145.26 0.55 Allowed 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.595 -169.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.647 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.3 ptt? -59.18 104.63 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 9.7 m95 -139.03 -176.82 4.63 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.041 1.336 . . . . 0.0 107.774 175.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.0 p -102.41 142.85 32.94 Favored 'General case' 0 N--CA 1.424 -1.764 0 O-C-N 122.0 -0.437 . . . . 0.0 111.23 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 14.4 p -111.6 163.88 13.61 Favored 'General case' 0 C--N 1.308 -1.225 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 24.3 m-20 -141.43 -163.88 1.65 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -72.67 -46.36 54.22 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 172.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -74.05 -49.44 24.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.42 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 1.9 mpp_? -76.24 117.76 18.25 Favored 'General case' 0 CA--C 1.48 -1.741 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -118.83 141.32 48.75 Favored 'General case' 0 C--N 1.263 -3.154 0 N-CA-C 107.697 -1.224 . . . . 0.0 107.697 175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 4.3 m -70.04 111.65 5.87 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 123.576 0.548 . . . . 0.0 111.776 -170.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.6 m -62.93 164.09 8.67 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.071 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 69.1 18.36 8.3 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.487 1.115 . . . . 0.0 110.427 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.62 45.19 78.65 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.274 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.8 mtt -95.85 162.05 13.75 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.8 t -83.85 131.9 32.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 C-N-CA 122.513 0.325 . . . . 0.0 110.38 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HA ' ' SG ' ' A' ' 15' ' ' CYS . 35.8 t -82.59 125.63 31.38 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -157.47 -152.38 0.35 Allowed 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.246 -2.131 . . . . 0.0 105.246 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.6 -36.01 82.4 Favored 'General case' 0 C--O 1.243 0.721 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 17.5 m-90 -132.31 131.82 42.36 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.794 172.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 6' ' ' MET . 80.5 m -68.49 127.81 34.34 Favored 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -144.3 149.47 36.3 Favored 'General case' 0 C--N 1.31 -1.116 0 O-C-N 123.627 0.579 . . . . 0.0 110.771 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -82.0 166.9 19.41 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.539 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.93 104.65 6.57 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -120.33 156.2 31.78 Favored 'General case' 0 C--N 1.29 -1.995 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.041 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 C--N 1.301 -1.512 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.9 t -97.59 142.28 29.6 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.623 0.725 . . . . 0.0 109.962 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.606 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.12 104.02 15.95 Favored 'General case' 0 C--N 1.283 -2.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.068 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -102.07 111.45 23.73 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.342 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.85 -144.92 0.56 Allowed 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.401 -1.272 . . . . 0.0 108.831 -167.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.613 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -59.34 104.32 0.25 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -134.47 165.27 25.56 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 174.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.0 p -88.97 150.28 22.89 Favored 'General case' 0 C--N 1.286 -2.186 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.401 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.66 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.7 p -109.65 171.89 7.18 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -144.34 -173.32 3.99 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.4 m -76.54 -34.21 58.54 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.1 -33.44 22.41 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -85.66 115.43 23.34 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.151 -173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -107.72 131.96 53.87 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 66.3 m -79.23 126.2 30.46 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -169.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 19' ' ' MET . 41.3 m -54.58 156.19 3.63 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.046 1.738 . . . . 0.0 113.5 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' OE2' ' HD2' ' A' ' 27' ' ' LYS . 20.6 tt0 65.06 16.43 10.56 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.605 1.562 . . . . 0.0 112.554 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.27 51.44 4.98 Favored Glycine 0 N--CA 1.438 -1.184 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.947 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 64.6 mtt -95.4 161.15 14.2 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -101.01 134.91 39.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.42 111.37 7.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -146.07 -158.82 0.94 Allowed 'General case' 0 C--N 1.285 -2.227 0 N-CA-C 106.484 -1.672 . . . . 0.0 106.484 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.45 90.08 6.19 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 6' ' ' MET . 23.8 m-90 78.8 114.6 0.06 Allowed 'General case' 0 C--O 1.242 0.667 0 C-N-CA 125.302 1.441 . . . . 0.0 110.944 -172.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.3 m -73.09 117.64 15.08 Favored 'General case' 0 N--CA 1.418 -2.028 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.898 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -114.29 151.32 33.1 Favored 'General case' 0 C--N 1.29 -1.994 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HD2' ' OE2' ' A' ' 17' ' ' GLU . 55.7 pttt -95.93 157.11 16.04 Favored 'General case' 0 C--N 1.284 -2.263 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.605 -177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -86.53 103.77 15.35 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.998 0.904 . . . . 0.0 112.937 -175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mp -92.71 -23.46 18.92 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 172.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 9.9 m95 . . . . . 0 C--O 1.252 1.19 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.662 -178.568 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.239 0.528 0 CA-C-O 121.395 0.617 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 36.4 t -92.99 139.62 30.33 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.795 0.807 . . . . 0.0 110.592 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.583 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.7 mp0 -87.21 99.8 12.21 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.97 -176.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -100.98 111.43 23.63 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 t90 58.41 -151.64 0.42 Allowed 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.707 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.2 ptt? -58.88 104.2 0.22 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -175.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.54 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.9 m95 -138.19 167.23 22.27 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.856 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 p -78.62 148.26 33.31 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 123.0 0.188 . . . . 0.0 111.389 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 29.3 p -119.14 161.56 20.1 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.08 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -136.9 -178.8 5.35 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.0 t -75.79 -43.42 46.42 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -74.35 -48.42 28.26 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.872 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -76.65 111.74 12.47 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.878 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -93.92 130.65 39.92 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.94 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 77.8 m -74.69 120.54 20.39 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.322 -177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 19' ' ' MET . 60.8 m -48.8 146.17 3.36 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 125.946 1.698 . . . . 0.0 113.366 -176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 74.41 12.95 3.85 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.496 1.518 . . . . 0.0 110.549 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.81 61.41 3.55 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.738 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 66.3 mtt -95.07 161.67 14.03 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.766 0.317 . . . . 0.0 110.159 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.6 t -86.63 129.22 38.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.86 118.49 15.87 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -151.01 -163.06 1.68 Allowed 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -175.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.8 mt -84.32 92.79 8.09 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 105.705 -1.961 . . . . 0.0 105.705 170.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 22.2 m-90 79.22 105.26 0.07 Allowed 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 125.27 1.428 . . . . 0.0 111.533 -172.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.2 m -67.34 138.96 57.17 Favored 'General case' 0 CA--C 1.482 -1.636 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.814 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -132.55 154.52 49.91 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -66.7 167.21 11.57 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 123.793 0.683 . . . . 0.0 110.195 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.43 86.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.069 0.937 . . . . 0.0 113.352 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -104.7 -7.5 19.52 Favored 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-N 113.58 -1.645 . . . . 0.0 106.761 179.144 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--O 1.24 0.566 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 98.3 m -75.77 147.85 38.95 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.7 mp0 -86.92 107.73 18.49 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 113.521 -1.672 . . . . 0.0 108.499 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -81.73 110.33 16.96 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.3 t90 49.96 -136.41 1.19 Allowed 'General case' 0 CA--C 1.561 1.376 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.755 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.4 ptt? -65.99 104.13 1.07 Allowed 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -139.31 176.97 8.26 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.068 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -96.91 146.72 24.68 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 120.994 0.426 . . . . 0.0 111.837 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.3 p -123.04 175.06 6.82 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 120.893 0.378 . . . . 0.0 111.295 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.402 ' N ' ' HB3' ' A' ' 13' ' ' ARG . 11.5 m-20 -143.93 -163.09 1.59 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -177.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.9 m -74.15 -52.67 11.79 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -77.9 -26.96 49.43 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.481 0.658 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' N ' ' A' ' 10' ' ' ASP . 4.9 tpp180 -87.27 103.02 15.05 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -109.73 130.9 55.47 Favored 'General case' 0 C--N 1.274 -2.7 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.456 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 25' ' ' CYS . 4.1 m -62.27 118.35 7.31 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 114.838 -1.073 . . . . 0.0 110.577 -175.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.24 159.43 33.07 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.257 -176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 72.46 17.37 4.73 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.023 1.329 . . . . 0.0 109.55 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.03 49.5 40.64 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.936 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.403 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 64.3 mtt -95.29 152.9 17.98 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 14.0 p -79.1 132.2 32.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.026 0.441 . . . . 0.0 110.692 -176.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.9 t -84.54 108.39 17.28 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.607 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -143.78 -151.18 0.35 Allowed 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.76 -37.96 88.71 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.5 m-90 -134.05 128.07 33.51 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.15 173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 6' ' ' MET . 86.1 m -68.69 127.65 33.81 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -143.89 158.66 43.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -84.97 176.54 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 120.002 -0.679 . . . . 0.0 111.47 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -73.32 147.82 44.09 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.316 0.579 . . . . 0.0 111.947 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -127.62 82.88 2.11 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.874 0.845 . . . . 0.0 108.734 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.308 -1.235 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.166 -177.333 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 121.466 0.65 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 t -98.81 170.01 9.06 Favored 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.501 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 13.8 mp0 -85.96 103.16 14.41 Favored 'General case' 0 N--CA 1.424 -1.753 0 C-N-CA 124.971 1.308 . . . . 0.0 110.706 -169.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -101.91 112.41 25.03 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.932 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.0 t90 60.16 -148.41 0.45 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.4 ptp -58.71 102.74 0.13 Allowed 'General case' 0 C--O 1.244 0.769 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -172.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 3' ' ' GLN . 11.3 m95 -144.93 167.91 21.51 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.489 178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 148.92 22.51 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 117.773 0.26 . . . . 0.0 110.654 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 9.3 p -119.58 174.86 6.15 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.401 0.143 . . . . 0.0 110.952 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -152.08 -170.9 3.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -82.25 -32.51 29.65 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -80.56 -33.96 35.77 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.79 0.805 . . . . 0.0 109.408 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -109.52 112.48 24.6 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.923 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.6 160.41 16.69 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.351 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 57.0 m -100.78 118.0 36.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.565 0.698 . . . . 0.0 112.661 -171.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.0 m -68.1 168.02 12.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.755 -1.111 . . . . 0.0 112.579 -174.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 69.21 23.7 6.26 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.031 0.919 . . . . 0.0 109.867 174.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.08 41.88 69.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.134 177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.9 mtt -95.6 136.8 35.53 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.75 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 8.8 p -78.6 131.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.272 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.1 t -72.41 114.93 11.07 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 175.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -143.16 -151.45 0.36 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 105.507 -2.035 . . . . 0.0 105.507 -174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.55 -35.81 75.75 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 172.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -135.69 128.75 31.57 Favored 'General case' 0 N--CA 1.425 -1.685 0 CA-C-N 114.101 -1.409 . . . . 0.0 107.23 172.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 92.7 m -67.42 133.68 50.02 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -143.68 155.72 44.31 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -97.15 146.85 24.66 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.57 88.41 7.65 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.0 tp -82.69 74.58 9.65 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-N 114.462 -1.244 . . . . 0.0 110.978 -174.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.3 t90 . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.376 179.267 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.241 0.644 0 CA-C-O 121.401 0.62 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 m -107.76 138.02 44.74 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 122.304 1.05 . . . . 0.0 112.384 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.568 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 19.2 mp0 -86.38 104.52 15.96 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 113.306 -1.77 . . . . 0.0 109.819 -168.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -100.5 111.6 23.88 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 t90 51.21 -140.78 0.84 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 113.619 -1.628 . . . . 0.0 107.962 -168.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.664 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.1 ptt? -64.59 104.3 0.79 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -176.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -134.53 176.93 8.18 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -100.34 153.23 19.48 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 118.976 0.807 . . . . 0.0 111.397 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 16.1 p -118.05 171.33 8.16 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 19.3 t70 -144.62 -161.12 1.22 Allowed 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 -177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 p -88.0 -34.3 18.09 Favored 'General case' 0 C--N 1.288 -2.076 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -80.26 -49.88 10.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 114.532 -1.213 . . . . 0.0 107.878 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' H ' ' HB3' ' A' ' 10' ' ' ASP . 21.6 tpp180 -74.9 110.67 9.38 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.937 -176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -106.58 143.29 34.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 11.6 m -74.84 110.91 9.53 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 120.971 0.415 . . . . 0.0 111.319 -174.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.2 m -60.28 163.69 4.85 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.998 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.26 19.57 7.77 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.152 1.381 . . . . 0.0 110.922 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.493 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . 70.29 39.29 71.23 Favored Glycine 0 N--CA 1.441 -0.994 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.497 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.7 mtt -95.34 159.06 15.19 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 122.296 -0.532 . . . . 0.0 110.36 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -87.42 140.32 15.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-O 121.051 0.453 . . . . 0.0 112.182 -175.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.3 t -90.3 114.96 27.13 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.593 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -144.64 -151.01 0.35 Allowed 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.26 -33.34 70.92 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 10.6 m-90 -132.99 152.95 51.9 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.526 170.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.664 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.0 m -80.78 130.32 35.01 Favored 'General case' 0 C--N 1.276 -2.607 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 170.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -133.45 149.38 51.77 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -72.96 150.39 42.55 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HE3' ' O ' ' A' ' 18' ' ' GLY . 9.5 mtmp? -75.28 137.89 41.48 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.329 -176.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.85 157.91 20.24 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.505 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--O 1.261 1.703 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.514 178.765 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 C--O 1.25 1.089 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.2 t -142.3 173.93 11.08 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.509 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -86.45 110.66 19.89 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 122.663 0.385 . . . . 0.0 110.809 -172.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -100.6 111.99 24.31 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.7 t90 50.87 -137.03 1.19 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -172.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.817 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.7 ptp -67.29 102.67 1.11 Allowed 'General case' 0 C--O 1.24 0.597 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -146.74 165.18 30.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.283 -1.78 . . . . 0.0 106.888 178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -89.54 138.27 31.6 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.213 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 8.3 p -109.91 171.63 7.33 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 13' ' ' ARG . 17.3 t70 -127.88 -169.95 2.15 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -83.52 -31.3 26.52 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -87.22 -53.34 4.9 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.056 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG3' ' OE1' ' A' ' 3' ' ' GLN . 10.6 tpp180 -78.53 108.64 12.05 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -101.22 162.91 12.55 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.509 -175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 3.7 m -80.77 118.13 22.04 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.25 154.4 27.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.555 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 74.94 9.67 3.96 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.318 1.447 . . . . 0.0 109.967 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.02 52.55 11.17 Favored Glycine 0 N--CA 1.435 -1.423 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.204 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.6 mtt -95.04 153.45 17.64 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 22' ' ' ARG . 58.0 t -77.35 118.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-O 121.397 0.618 . . . . 0.0 111.366 -175.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.6 t -80.41 110.46 15.87 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.488 -1.233 . . . . 0.0 109.779 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 20' ' ' VAL . 24.0 mmt180 -143.78 -145.35 0.17 Allowed 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 -178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.6 mt -49.02 -46.58 44.26 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 123.908 0.755 . . . . 0.0 109.016 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -139.7 147.86 41.54 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 171.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.817 ' O ' ' HA ' ' A' ' 6' ' ' MET . 55.6 m -75.7 144.4 41.6 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -144.71 159.9 42.08 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 175.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.19 154.39 41.97 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.718 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -91.42 129.69 37.37 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.075 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.28 22.47 5.95 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.243 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 . . . . . 0 C--N 1.307 -1.262 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.193 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 C--O 1.242 0.69 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 m -140.67 150.34 43.39 Favored 'General case' 0 N--CA 1.422 -1.861 0 CA-C-N 113.344 -1.753 . . . . 0.0 111.439 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.8 mp0 -86.73 111.54 20.81 Favored 'General case' 0 C--N 1.283 -2.309 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.241 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -99.35 111.56 23.91 Favored 'General case' 0 CA--C 1.486 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 47.4 -138.39 0.71 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.148 -168.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.687 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.7 ptt? -63.15 103.76 0.51 Allowed 'General case' 0 C--O 1.238 0.451 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -145.2 165.63 27.79 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 126.002 1.721 . . . . 0.0 107.419 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.4 p -91.0 149.0 22.01 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 117.941 0.337 . . . . 0.0 111.175 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.1 p -109.67 165.7 11.48 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.242 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 9.8 m-20 -132.47 -173.19 3.1 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -62.82 -46.75 86.49 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.706 0.629 . . . . 0.0 110.887 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -109.44 -9.75 14.92 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 12.0 tpp180 -90.72 108.12 19.62 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 176.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -100.28 145.9 27.55 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 114.37 -1.286 . . . . 0.0 108.897 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 3.7 m -67.78 112.04 4.63 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 123.87 0.731 . . . . 0.0 109.708 -176.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.7 m -63.77 160.71 16.66 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.405 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 70.83 16.34 6.66 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.649 1.18 . . . . 0.0 109.457 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.69 47.81 59.51 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.581 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.4 ' HB2' ' CB ' ' A' ' 15' ' ' CYS . 60.2 mtt -95.31 154.53 17.15 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.4 132.73 31.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.505 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.07 129.37 37.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.7 tpp180 -154.47 -153.75 0.47 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 104.765 -2.309 . . . . 0.0 104.765 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 92.9 mt -61.72 -38.15 86.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -138.72 132.77 31.3 Favored 'General case' 0 N--CA 1.42 -1.964 0 CA-C-N 113.797 -1.547 . . . . 0.0 107.245 172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.687 ' O ' ' HA ' ' A' ' 6' ' ' MET . 27.4 m -73.53 133.56 43.61 Favored 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -128.41 158.81 37.26 Favored 'General case' 0 C--N 1.282 -2.362 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -78.64 150.3 32.69 Favored 'General case' 0 N--CA 1.419 -1.977 0 C-N-CA 119.359 -0.936 . . . . 0.0 109.05 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -73.42 128.98 37.02 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -106.78 115.8 30.83 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.6 m95 . . . . . 0 C--N 1.292 -1.9 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.979 -177.294 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.818 0.818 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.0 t -130.56 126.43 36.74 Favored 'General case' 0 N--CA 1.424 -1.76 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.982 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 17.2 mp0 -92.19 97.95 11.22 Favored 'General case' 0 C--N 1.261 -3.281 0 CA-C-N 113.756 -1.566 . . . . 0.0 110.154 -172.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -101.92 110.9 22.99 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 120.127 -0.629 . . . . 0.0 110.72 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.5 t90 57.07 -146.87 0.54 Allowed 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.384 -171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.689 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.8 ptt? -58.84 102.97 0.13 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-O 122.123 0.963 . . . . 0.0 113.536 -173.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -143.88 164.89 29.25 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.398 -1.274 . . . . 0.0 108.838 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -88.7 135.94 33.25 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 3.7 p -109.69 171.66 7.31 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 120.717 0.294 . . . . 0.0 111.017 -178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 18.6 m-20 -125.31 -171.67 2.42 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -78.72 -43.44 25.78 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -84.37 -37.79 21.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 14.6 tpp180 -77.56 112.4 14.31 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 121.021 0.439 . . . . 0.0 109.859 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -98.51 162.4 13.17 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 17.6 m -85.62 125.85 33.46 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 120.548 0.213 . . . . 0.0 110.671 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 19' ' ' MET . 83.2 m -58.1 163.97 2.58 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.765 0.826 . . . . 0.0 111.589 -178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 65.32 8.69 5.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.0 0.92 . . . . 0.0 113.199 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.81 48.09 17.9 Favored Glycine 0 N--CA 1.424 -2.11 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.429 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 63.7 mtt -95.34 161.31 14.14 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 3.0 p -93.83 125.85 46.35 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -175.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -77.2 134.39 38.64 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.476 -0.783 . . . . 0.0 108.954 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 17.9 tpp180 -162.91 -146.0 0.1 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 103.647 -2.723 . . . . 0.0 103.647 -177.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 84.5 mt -63.21 -35.0 78.88 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m-90 -139.31 141.91 37.71 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.027 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 6' ' ' MET . 83.4 m -67.18 132.91 48.74 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 172.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -137.54 155.62 49.04 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 19' ' ' MET . 22.3 pttp -78.55 146.82 34.05 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.41 0.444 . . . . 0.0 110.991 -176.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.36 104.29 3.14 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.583 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 tp -85.92 -38.69 17.74 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 60.9 t90 . . . . . 0 C--N 1.305 -1.363 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.661 -179.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.0 t80 . . . . . 0 C--O 1.241 0.631 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.3 m -126.84 144.59 50.93 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.866 -1.515 . . . . 0.0 111.014 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -86.79 108.94 18.94 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.335 -1.302 . . . . 0.0 109.458 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -100.1 111.23 23.52 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 6' ' ' MET . 20.3 t90 54.22 -147.88 0.49 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -171.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.565 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.9 ptm -59.02 103.87 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 -174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -136.44 166.51 23.32 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 175.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 p -89.36 148.08 23.71 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.002 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.665 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 19.2 p -122.54 163.61 19.64 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 13' ' ' ARG . 13.4 m-20 -145.17 -175.37 4.67 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -62.16 -40.27 95.44 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.337 0.589 . . . . 0.0 110.618 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -93.18 -8.88 41.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.277 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 21.5 tpp180 -108.24 106.37 16.51 Favored 'General case' 0 N--CA 1.425 -1.676 0 C-N-CA 119.8 -0.76 . . . . 0.0 110.745 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' HD3' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -95.74 144.26 26.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 m -81.17 112.61 18.67 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-O 121.297 0.57 . . . . 0.0 110.538 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -65.98 162.42 19.33 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.928 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 69.75 18.82 7.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.735 1.614 . . . . 0.0 110.011 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.45 59.08 7.61 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.811 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.4 mtt -110.92 157.94 19.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 27.0 m -91.51 142.34 13.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -83.51 126.58 32.93 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -157.08 -154.19 0.45 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 -176.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.5 mt -60.49 -37.78 82.2 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 173.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -136.13 137.25 40.8 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.506 172.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.7 m -67.52 127.17 31.73 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 174.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -136.02 163.5 30.16 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 124.097 0.873 . . . . 0.0 109.827 176.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -91.0 -171.29 2.95 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.438 -173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -65.5 147.74 52.9 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.095 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.1 106.38 0.59 Allowed 'General case' 0 C--O 1.245 0.836 0 CA-C-O 121.842 0.829 . . . . 0.0 111.003 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.6 t90 . . . . . 0 C--N 1.298 -1.669 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.71 -178.135 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 C--O 1.243 0.75 0 CA-C-O 121.809 0.814 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' CYS . 61.6 m -91.59 158.44 16.43 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -173.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' HG2' ' SG ' ' A' ' 25' ' ' CYS . 1.9 mp0 -85.89 102.76 14.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 112.656 -2.066 . . . . 0.0 108.242 -176.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.27 111.85 24.18 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.196 0.522 . . . . 0.0 109.886 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 t90 59.71 -147.09 0.48 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 114.103 -1.408 . . . . 0.0 108.186 -170.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.77 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 26.3 ptm -62.81 103.32 0.43 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -138.34 177.92 7.52 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.526 -1.216 . . . . 0.0 108.407 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.6 p -92.26 143.68 26.17 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.741 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.9 p -126.24 163.61 22.82 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 120.781 0.324 . . . . 0.0 111.415 -178.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -126.5 177.19 6.64 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 m -78.45 -24.89 45.81 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -92.76 -29.03 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.753 -178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -110.37 110.98 21.96 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -97.45 160.55 14.25 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.222 -177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 m -76.04 116.55 16.85 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.657 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' CYS . 62.7 m -71.82 168.13 18.51 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.518 -175.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 68.91 19.26 8.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.045 1.338 . . . . 0.0 109.398 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.84 44.31 69.84 Favored Glycine 0 N--CA 1.431 -1.668 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.035 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 68.2 mtt -95.47 161.37 14.09 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 35.1 m -99.21 141.93 15.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 CA-C-O 120.8 0.334 . . . . 0.0 111.64 -175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -94.67 110.41 22.25 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.556 0.693 . . . . 0.0 109.989 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 19.0 tpt180 -130.65 -140.25 0.22 Allowed 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 83.1 mt -63.11 -34.75 78.28 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m-90 -134.36 151.07 51.01 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 114.201 -1.363 . . . . 0.0 107.868 172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.77 ' O ' ' HA ' ' A' ' 6' ' ' MET . 98.4 m -67.47 126.38 29.11 Favored 'General case' 0 CA--C 1.476 -1.894 0 N-CA-C 106.876 -1.528 . . . . 0.0 106.876 170.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -135.41 173.07 12.13 Favored 'General case' 0 C--N 1.283 -2.311 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -90.23 148.96 22.6 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -68.2 123.67 21.35 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -88.68 131.32 35.06 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.404 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 83.2 m95 . . . . . 0 C--N 1.296 -1.75 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.765 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 . . . . . 0 CA--C 1.514 -0.427 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 16.0 t -97.83 -176.38 3.44 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.392 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -84.99 99.66 11.14 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mtmt -100.63 111.06 23.24 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.5 t90 56.25 -146.34 0.57 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.166 -1.379 . . . . 0.0 108.696 -170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.668 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 22.0 ptt? -58.41 103.11 0.13 Allowed 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -174.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -145.55 178.15 8.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.3 p -103.99 139.95 38.41 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 118.95 0.795 . . . . 0.0 112.486 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.2 p -111.27 175.36 5.45 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.761 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -137.92 -170.42 2.78 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.9 m -76.42 -40.57 50.39 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.16 -21.72 21.02 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.488 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -95.6 108.19 20.44 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 121.206 0.527 . . . . 0.0 109.894 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -102.19 146.98 27.2 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 114.614 -1.175 . . . . 0.0 109.445 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.29 120.51 23.17 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.716 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.63 168.12 6.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 123.462 0.705 . . . . 0.0 111.35 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 69.95 18.31 7.27 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.608 1.163 . . . . 0.0 109.937 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.9 94.79 Favored Glycine 0 N--CA 1.441 -0.977 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.712 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.6 mtt -95.29 160.99 14.28 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.298 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 48.5 t -99.4 132.57 44.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.172 -173.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.1 t -78.42 137.65 38.09 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.016 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -170.51 -148.47 0.06 Allowed 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 -178.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' H ' HD23 ' A' ' 23' ' ' LEU . 1.8 pt? -52.18 -37.37 54.48 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.596 0.712 . . . . 0.0 109.863 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -144.66 147.28 32.88 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 172.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 6' ' ' MET . 94.0 m -67.24 122.15 17.24 Favored 'General case' 0 CA--C 1.473 -1.991 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 172.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -136.4 163.96 29.25 Favored 'General case' 0 C--N 1.291 -1.954 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -95.24 143.83 26.32 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-O 121.412 0.625 . . . . 0.0 111.536 -173.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -95.36 83.98 3.94 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -84.56 -60.53 2.04 Favored 'General case' 0 C--N 1.266 -3.024 0 CA-C-N 113.772 -1.558 . . . . 0.0 108.806 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 . . . . . 0 C--O 1.249 1.065 0 O-C-N 124.437 1.085 . . . . 0.0 112.296 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.239 0.505 0 CA-C-O 122.089 0.947 . . . . 0.0 108.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 17.5 m -130.0 146.18 51.67 Favored 'General case' 0 N--CA 1.419 -2.014 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.376 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -87.08 104.38 16.28 Favored 'General case' 0 C--N 1.281 -2.4 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.41 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -100.91 111.66 23.93 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.273 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.4 t90 56.91 -145.11 0.62 Allowed 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -172.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.737 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 20.1 ptp -62.43 104.07 0.47 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -174.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -143.49 161.63 37.93 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 p -81.04 137.71 36.03 Favored 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 119.164 0.893 . . . . 0.0 111.0 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.815 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 9.9 p -110.08 156.19 20.88 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -120.12 -172.86 2.43 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 p -70.93 -42.84 69.34 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.562 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -95.99 -20.64 18.56 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.062 -0.399 . . . . 0.0 110.769 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.89 114.49 22.85 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 121.313 0.578 . . . . 0.0 110.128 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -94.93 153.47 17.66 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.304 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 18.5 m -88.11 107.67 18.88 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -55.34 153.29 7.38 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 114.841 -1.072 . . . . 0.0 112.82 -175.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 73.39 11.39 4.9 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.299 1.44 . . . . 0.0 109.798 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.95 50.09 8.1 Favored Glycine 0 N--CA 1.44 -1.069 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.354 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.2 mtt -94.98 161.31 14.19 Favored 'General case' 0 C--N 1.308 -1.222 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.792 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 12.1 t -86.39 132.67 31.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 123.273 0.358 . . . . 0.0 110.342 -172.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.6 t -91.49 118.37 30.52 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' TRP . 36.9 mmt180 -141.32 -145.43 0.18 Allowed 'General case' 0 C--N 1.28 -2.428 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.7 mm? -59.98 -30.65 69.26 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 20.6 m-90 -141.18 152.74 44.9 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 114.005 -1.452 . . . . 0.0 107.353 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.815 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 76.0 m -67.06 133.01 49.03 Favored 'General case' 0 CA--C 1.474 -1.962 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 168.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -133.05 140.81 47.9 Favored 'General case' 0 C--N 1.278 -2.512 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -75.71 169.3 18.39 Favored 'General case' 0 N--CA 1.428 -1.543 0 C-N-CA 119.38 -0.928 . . . . 0.0 109.55 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -80.66 93.92 6.24 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-O 121.882 0.848 . . . . 0.0 110.505 -174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.19 141.49 28.61 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 114.113 -1.403 . . . . 0.0 108.814 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.5 m95 . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.769 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.323 0.582 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.5 m -73.86 155.17 39.04 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.179 175.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.724 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 2.1 mp0 -86.35 96.98 10.17 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -88.2 111.44 21.63 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 121.364 0.602 . . . . 0.0 109.895 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.8 t90 53.06 -148.63 0.43 Allowed 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 114.117 -1.401 . . . . 0.0 108.456 -169.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.679 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 19.9 ptp -60.66 104.52 0.35 Allowed 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -137.69 176.24 8.88 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.369 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -92.74 153.66 18.78 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.784 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 19.7 p -115.54 164.47 14.27 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.159 0.504 . . . . 0.0 111.661 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -131.02 -179.59 5.42 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.4 p -80.04 -40.05 28.56 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 119.901 -0.72 . . . . 0.0 109.43 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -79.92 -29.33 39.77 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.769 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -102.24 107.29 18.3 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -100.12 138.08 37.69 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.514 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.784 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.2 m -68.09 110.26 3.88 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 121.869 0.842 . . . . 0.0 112.577 -173.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 17' ' ' GLU . 48.8 m -64.67 157.45 27.21 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 113.819 -1.537 . . . . 0.0 110.521 -174.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' CYS . 15.5 mm-40 77.22 11.31 2.33 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.339 1.456 . . . . 0.0 111.735 -176.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.34 46.55 33.19 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.683 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.1 mtt -95.11 147.12 23.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 24.6 m -78.02 125.71 37.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.604 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 52.2 t -72.62 105.68 4.34 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -147.68 -150.54 0.34 Allowed 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' ' 23' ' ' LEU . 4.8 mp -62.92 -42.27 99.74 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -137.06 124.16 21.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.973 174.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 6' ' ' MET . 91.9 m -74.0 125.81 29.09 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -137.42 166.2 24.41 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -74.41 135.54 42.39 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 123.447 0.467 . . . . 0.0 110.116 -177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -97.68 102.46 14.22 Favored 'General case' 0 N--CA 1.42 -1.963 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.146 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.2 tp -87.54 -23.81 24.25 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.8 m-90 . . . . . 0 C--O 1.258 1.513 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.867 178.122 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 . . . . . 0 C--O 1.237 0.411 0 CA-C-O 121.734 0.778 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.9 m -88.37 143.14 27.19 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-O 122.656 1.217 . . . . 0.0 113.624 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -86.71 114.15 23.16 Favored 'General case' 0 C--N 1.28 -2.436 0 CA-C-N 113.795 -1.548 . . . . 0.0 107.894 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -95.88 110.91 23.02 Favored 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.122 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 44.8 -132.41 0.83 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.482 -1.235 . . . . 0.0 109.138 -168.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.749 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 24.6 ptt? -64.18 103.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -139.57 164.14 30.71 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.3 p -85.16 141.38 30.22 Favored 'General case' 0 C--N 1.279 -2.491 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.453 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.638 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 11.6 p -115.55 174.88 5.78 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 13' ' ' ARG . 5.2 m-20 -133.63 -172.36 2.95 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.8 t -72.44 -41.98 65.54 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -77.54 -51.97 9.83 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.611 176.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HB2' ' A' ' 10' ' ' ASP . 21.2 tpp180 -74.06 114.08 11.98 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.266 -176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -97.28 161.6 13.73 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.278 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 12.7 m -88.6 119.64 29.25 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -175.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.8 m -60.67 159.04 11.43 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.869 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 75.17 13.41 3.21 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 125.56 1.544 . . . . 0.0 109.516 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.09 47.16 88.07 Favored Glycine 0 N--CA 1.44 -1.079 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.229 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.3 mtm -95.4 161.37 14.1 Favored 'General case' 0 C--N 1.306 -1.318 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.552 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 7.2 p -83.22 130.4 35.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 CA-C-O 121.218 0.532 . . . . 0.0 111.722 -175.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.0 t -78.85 137.47 37.7 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.391 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 26.6 tpt180 -167.58 -157.16 0.22 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 -177.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 89.1 mt -61.07 -36.99 81.09 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -136.06 125.22 24.53 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.616 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.749 ' O ' ' HA ' ' A' ' 6' ' ' MET . 60.5 m -67.15 131.45 45.82 Favored 'General case' 0 CA--C 1.478 -1.8 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -138.88 157.94 45.13 Favored 'General case' 0 C--N 1.29 -2.022 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 175.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -80.1 150.5 30.25 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 119.667 -0.813 . . . . 0.0 110.794 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -65.67 110.41 2.76 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.562 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.9 mt -134.05 38.8 3.16 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.5 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 124.626 1.17 . . . . 0.0 110.666 -177.406 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 CA--C 1.502 -0.87 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.5 m -89.51 145.97 24.93 Favored 'General case' 0 N--CA 1.418 -2.04 0 CA-C-O 121.509 0.671 . . . . 0.0 112.172 178.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -85.73 104.26 15.27 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.654 -174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -100.46 111.65 23.93 Favored 'General case' 0 CA--C 1.489 -1.396 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.8 t90 55.37 -143.25 0.74 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.691 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 23.3 ptp -62.33 103.69 0.42 Allowed 'General case' 0 C--O 1.238 0.495 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -140.27 172.31 12.92 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.037 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 p -96.34 139.65 32.15 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 21.8 p -115.18 175.64 5.42 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.135 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -140.62 -172.78 3.52 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.4 m -76.52 -33.39 58.61 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -87.55 -53.59 4.72 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 1.2 tpm_? -73.56 109.68 7.26 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.391 -177.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -94.96 162.17 13.85 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 8.3 m -85.64 119.1 25.61 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 87.5 m -56.39 155.06 7.46 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.193 0.597 . . . . 0.0 112.282 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 70.07 7.65 6.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 125.701 1.6 . . . . 0.0 111.93 -175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.85 53.21 9.88 Favored Glycine 0 N--CA 1.436 -1.316 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.9 mtt -94.71 161.5 14.16 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 46.4 t -77.63 116.04 20.48 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 O-C-N 123.284 0.365 . . . . 0.0 110.732 -174.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.01 123.29 27.16 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 176.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -157.46 -145.67 0.15 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.9 mp -57.92 -43.69 86.39 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.2 m-90 -132.05 144.56 50.85 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.084 -1.416 . . . . 0.0 108.302 173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 6' ' ' MET . 70.0 m -72.3 134.9 45.78 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 106.976 -1.491 . . . . 0.0 106.976 172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -142.98 159.7 41.74 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -96.86 178.38 5.31 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.03 83.29 3.91 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.633 0.73 . . . . 0.0 110.121 -177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 tt -99.68 -35.73 9.72 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 C--N 1.308 -1.227 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.35 175.689 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 CA--C 1.509 -0.597 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -143.93 148.12 34.92 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.78 -1.554 . . . . 0.0 107.764 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 15' ' ' CYS . 1.2 mp0 -88.41 108.05 19.17 Favored 'General case' 0 C--N 1.267 -3.005 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.025 -175.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -91.81 110.16 21.49 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.0 t90 50.08 -138.98 0.91 Allowed 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -172.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.725 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 25.0 ptt? -64.89 103.52 0.73 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -137.26 167.74 20.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.397 -1.274 . . . . 0.0 107.648 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.7 p -86.38 140.91 29.58 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.151 0.5 . . . . 0.0 112.056 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.737 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.2 p -110.06 173.78 6.17 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.676 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.14 -167.53 2.8 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.2 t -74.26 -46.29 42.38 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 121.104 0.478 . . . . 0.0 109.737 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -86.68 -27.11 23.94 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 110.143 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.92 98.97 8.13 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 ptmm? -98.26 142.31 30.08 Favored 'General case' 0 C--N 1.284 -2.249 0 CA-C-N 115.322 -0.853 . . . . 0.0 108.871 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.737 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 61.8 m -89.48 127.66 35.88 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-O 121.06 0.457 . . . . 0.0 111.559 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 19' ' ' MET . 39.9 m -51.18 154.04 1.76 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.878 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 68.44 6.91 5.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 124.919 1.288 . . . . 0.0 113.416 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.56 57.28 6.09 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 16' ' ' CYS . 67.7 mtt -94.18 152.42 18.74 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 47.0 t -77.41 132.78 32.04 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.209 -174.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.83 123.97 27.76 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -154.12 -153.78 0.48 Allowed 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.46 -38.81 88.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 172.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -138.59 137.78 37.29 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.186 172.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 6' ' ' MET . 96.1 m -81.41 123.03 28.23 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -123.38 164.75 18.24 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 174.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -73.29 160.09 32.4 Favored 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.798 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -81.66 126.47 31.81 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.2 mp -101.46 -48.02 4.48 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 . . . . . 0 C--N 1.308 -1.205 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.885 -176.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.8 t -96.0 145.99 24.98 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.4 91.93 8.9 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -91.82 111.05 22.42 Favored 'General case' 0 N--CA 1.427 -1.612 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.555 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 51.72 -142.26 0.75 Allowed 'General case' 0 C--N 1.29 -1.998 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.949 -169.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' CYS . 27.2 ptt? -61.08 104.52 0.38 Allowed 'General case' 0 C--O 1.244 0.804 0 CA-C-O 122.039 0.923 . . . . 0.0 113.48 -176.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' O ' ' HA ' ' A' ' 24' ' ' TRP . 8.3 m95 -139.82 173.21 11.76 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.691 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.4 p -93.04 155.96 17.18 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . 6.4 p -124.72 156.5 37.54 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 120.823 0.344 . . . . 0.0 110.168 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -129.82 -174.96 3.46 Favored 'General case' 0 CA--C 1.485 -1.521 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 p -63.78 -47.15 82.07 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.332 0.587 . . . . 0.0 110.418 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -89.63 -27.29 20.27 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.86 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -85.1 110.5 19.01 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.11 -177.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 133.41 52.08 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 9' ' ' CYS . 6.2 m -60.81 120.23 9.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.83 -1.077 . . . . 0.0 111.356 -173.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.6 m -54.63 148.86 11.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.012 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.88 20.1 4.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.666 1.586 . . . . 0.0 110.477 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.13 46.55 90.81 Favored Glycine 0 CA--C 1.507 -0.446 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.321 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.632 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 23.2 mmt -95.42 157.53 15.86 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.94 141.43 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.006 0.431 . . . . 0.0 111.534 -174.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.4 t -79.28 129.28 34.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' H ' ' A' ' 23' ' ' LEU . 18.1 tpt180 -154.27 -156.21 0.65 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 -178.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' H ' ' HG3' ' A' ' 22' ' ' ARG . 2.9 mm? -67.06 -33.27 75.15 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 16.4 m-90 -139.42 123.17 17.53 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.685 173.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 6' ' ' MET . 28.6 m -67.72 123.41 20.43 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 173.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -119.7 163.23 17.73 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 56.0 mtpt -76.11 131.58 39.51 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -66.48 117.23 8.39 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 175.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 pp -149.86 166.22 30.19 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.053 -176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 . . . . . 0 C--N 1.3 -1.571 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.552 178.838 . . . . . . . . 0 0 . 1 stop_ save_